3-(6-tert-butyl-2-methyl-3-pyridinyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide;3-(6-tert-butyl-2-methyl-3-pyridinyl)-N-[2-(hydroxymethyl)-1H-indol-5-yl]propanamide;3-(6-tert-butyl-2-methyl-3-pyridinyl)-N-(1H-indol-5-yl)propanamide;3-(6-tert-butyl-2-methyl-3-pyridinyl)-N-(1H-indol-6-yl)propanamide;3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-phenylpropanamide;N-(1H-indol-6-yl)-3-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]propanamide

C130H148F3N15O11 — CID 160974888

IUPAC3-(6-tert-butyl-2-methyl-3-pyridinyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide;3-(6-tert-butyl-2-methyl-3-pyridinyl)-N-[2-(hydroxymethyl)-1H-indol-5-yl]propanamide;3-(6-tert-butyl-2-methyl-3-pyridinyl)-N-(1H-indol-5-yl)propanamide;3-(6-tert-butyl-2-methyl-3-pyridinyl)-N-(1H-indol-6-yl)propanamide;3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-phenylpropanamide;N-(1H-indol-6-yl)-3-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]propanamide
SMILESCC(C)(C)c1ccc(C(CC(=O)Nc2ccc3c(c2)OCCO3)c2ccccc2)cc1.Cc1nc(C(C)(C)C)ccc1CCC(=O)Nc1ccc2[nH]c(CO)cc2c1.Cc1nc(C(C)(C)C)ccc1CCC(=O)Nc1ccc2[nH]ccc2c1.Cc1nc(C(C)(C)C)ccc1CCC(=O)Nc1ccc2c(c1)OCCO2.Cc1nc(C(C)(C)C)ccc1CCC(=O)Nc1ccc2cc[nH]c2c1.Cc1nc(C(F)(F)F)ccc1CCC(=O)Nc1ccc2cc[nH]c2c1
InChIInChI=1S/C27H29NO3.C22H27N3O2.2C21H25N3O.C21H26N2O3.C18H16F3N3O/c1-27(2,3)21-11-9-20(10-12-21)23(19-7-5-4-6-8-19)18-26(29)28-22-13-14-24-25(17-22)31-16-15-30-24;1-14-15(5-9-20(23-14)22(2,3)4)6-10-21(27)25-17-7-8-19-16(11-17)12-18(13-26)24-19;1-14-15(5-9-19(23-14)21(2,3)4)6-10-20(25)24-17-7-8-18-16(13-17)11-12-22-18;1-14-15(6-9-19(23-14)21(2,3)4)7-10-20(25)24-17-8-5-16-11-12-22-18(16)13-17;1-14-15(5-9-19(22-14)21(2,3)4)6-10-20(24)23-16-7-8-17-18(13-16)26-12-11-25-17;1-11-12(3-6-16(23-11)18(19,20)21)4-7-17(25)24-14-5-2-13-8-9-22-15(13)10-14/h4-14,17,23H,15-16,18H2,1-3H3,(H,28,29);5,7-9,11-12,24,26H,6,10,13H2,1-4H3,(H,25,27);5,7-9,11-13,22H,6,10H2,1-4H3,(H,24,25);5-6,8-9,11-13,22H,7,10H2,1-4H3,(H,24,25);5,7-9,13H,6,10-12H2,1-4H3,(H,23,24);2-3,5-6,8-10,22H,4,7H2,1H3,(H,24,25)
InChIKeySYSOBTWCKVIUEV-UHFFFAOYSA-N
MW2153.70 g/mol
LogP28.12
Rot. Bonds26

About 3-(6-tert-butyl-2-methyl-3-pyridinyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide;3-(6-tert-butyl-2-methyl-3-pyridinyl)-N-[2-(hydroxymethyl)-1H-indol-5-yl]propanamide;3-(6-tert-butyl-2-methyl-3-pyridinyl)-N-(1H-indol-5-yl)propanamide;3-(6-tert-butyl-2-methyl-3-pyridinyl)-N-(1H-indol-6-yl)propanamide;3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-phenylpropanamide;N-(1H-indol-6-yl)-3-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]propanamide

3-(6-tert-butyl-2-methyl-3-pyridinyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide;3-(6-tert-butyl-2-methyl-3-pyridinyl)-N-[2-(hydroxymethyl)-1H-indol-5-yl]propanamide;3-(6-tert-butyl-2-methyl-3-pyridinyl)-N-(1H-indol-5-yl)propanamide;3-(6-tert-butyl-2-methyl-3-pyridinyl)-N-(1H-indol-6-yl)propanamide;3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-phenylpropanamide;N-(1H-indol-6-yl)-3-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]propanamide (PubChem CID 160974888) has the molecular formula C130H148F3N15O11 and a molecular weight of 2153.70 g/mol. Its IUPAC name is 3-(6-tert-butyl-2-methyl-3-pyridinyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide;3-(6-tert-butyl-2-methyl-3-pyridinyl)-N-[2-(hydroxymethyl)-1H-indol-5-yl]propanamide;3-(6-tert-butyl-2-methyl-3-pyridinyl)-N-(1H-indol-5-yl)propanamide;3-(6-tert-butyl-2-methyl-3-pyridinyl)-N-(1H-indol-6-yl)propanamide;3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-phenylpropanamide;N-(1H-indol-6-yl)-3-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]propanamide.

Molecular Properties

Compound Name3-(6-tert-butyl-2-methyl-3-pyridinyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide;3-(6-tert-butyl-2-methyl-3-pyridinyl)-N-[2-(hydroxymethyl)-1H-indol-5-yl]propanamide;3-(6-tert-butyl-2-methyl-3-pyridinyl)-N-(1H-indol-5-yl)propanamide;3-(6-tert-butyl-2-methyl-3-pyridinyl)-N-(1H-indol-6-yl)propanamide;3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-phenylpropanamide;N-(1H-indol-6-yl)-3-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]propanamide
PubChem CID160974888
Molecular FormulaC130H148F3N15O11
Molecular Weight2153.70 g/mol
Exact Mass2152.14
IUPAC Name3-(6-tert-butyl-2-methyl-3-pyridinyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide;3-(6-tert-butyl-2-methyl-3-pyridinyl)-N-[2-(hydroxymethyl)-1H-indol-5-yl]propanamide;3-(6-tert-butyl-2-methyl-3-pyridinyl)-N-(1H-indol-5-yl)propanamide;3-(6-tert-butyl-2-methyl-3-pyridinyl)-N-(1H-indol-6-yl)propanamide;3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-phenylpropanamide;N-(1H-indol-6-yl)-3-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]propanamide
SMILESCC(C)(C)c1ccc(C(CC(=O)Nc2ccc3c(c2)OCCO3)c2ccccc2)cc1.Cc1nc(C(C)(C)C)ccc1CCC(=O)Nc1ccc2[nH]c(CO)cc2c1.Cc1nc(C(C)(C)C)ccc1CCC(=O)Nc1ccc2[nH]ccc2c1.Cc1nc(C(C)(C)C)ccc1CCC(=O)Nc1ccc2c(c1)OCCO2.Cc1nc(C(C)(C)C)ccc1CCC(=O)Nc1ccc2cc[nH]c2c1.Cc1nc(C(F)(F)F)ccc1CCC(=O)Nc1ccc2cc[nH]c2c1
InChIInChI=1S/C27H29NO3.C22H27N3O2.2C21H25N3O.C21H26N2O3.C18H16F3N3O/c1-27(2,3)21-11-9-20(10-12-21)23(19-7-5-4-6-8-19)18-26(29)28-22-13-14-24-25(17-22)31-16-15-30-24;1-14-15(5-9-20(23-14)22(2,3)4)6-10-21(27)25-17-7-8-19-16(11-17)12-18(13-26)24-19;1-14-15(5-9-19(23-14)21(2,3)4)6-10-20(25)24-17-7-8-18-16(13-17)11-12-22-18;1-14-15(6-9-19(23-14)21(2,3)4)7-10-20(25)24-17-8-5-16-11-12-22-18(16)13-17;1-14-15(5-9-19(22-14)21(2,3)4)6-10-20(24)23-16-7-8-17-18(13-16)26-12-11-25-17;1-11-12(3-6-16(23-11)18(19,20)21)4-7-17(25)24-14-5-2-13-8-9-22-15(13)10-14/h4-14,17,23H,15-16,18H2,1-3H3,(H,28,29);5,7-9,11-12,24,26H,6,10,13H2,1-4H3,(H,25,27);5,7-9,11-13,22H,6,10H2,1-4H3,(H,24,25);5-6,8-9,11-13,22H,7,10H2,1-4H3,(H,24,25);5,7-9,13H,6,10-12H2,1-4H3,(H,23,24);2-3,5-6,8-10,22H,4,7H2,1H3,(H,24,25)
InChIKeySYSOBTWCKVIUEV-UHFFFAOYSA-N
XLogP28.12
TPSA359.36 Ų
H-Bond Donors11
H-Bond Acceptors16
Rotatable Bonds26
Heavy Atoms159
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002153.70
LogP ≤ 528.12
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1016

Analyze 3-(6-tert-butyl-2-methyl-3-pyridinyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide;3-(6-tert-butyl-2-methyl-3-pyridinyl)-N-[2-(hydroxymethyl)-1H-indol-5-yl]propanamide;3-(6-tert-butyl-2-methyl-3-pyridinyl)-N-(1H-indol-5-yl)propanamide;3-(6-tert-butyl-2-methyl-3-pyridinyl)-N-(1H-indol-6-yl)propanamide;3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-phenylpropanamide;N-(1H-indol-6-yl)-3-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]propanamide with MolForge

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Related Compounds

3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(4-methoxyphenyl)propanamide;3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(6-methoxy-3-pyridinyl)propanamide;3-(4-tert-butylphenyl)-N-(1H-indol-5-yl)-3-pyridin-3-ylpropanamide
CID 159887325
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(2-oxo-1H-quinolin-3-yl)propanamide
CID 110331047
3-(4-tert-butylphenyl)-N-[6-(2-hydroxyethoxy)-3-pyridinyl]propanamide;3-(6-tert-butyl-3-pyridinyl)-N-(1H-indol-6-yl)propanamide;3-[2-(4-hydroxypiperidin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]-N-quinolin-3-ylpropanamide;N-(1H-indol-5-yl)-3-[2-(4-methylpiperazin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]propanamide;N-(1H-indol-5-yl)-3-[6-(trifluoromethyl)-3-pyridinyl]propanamide;N-(1H-indol-6-yl)-3-[6-(trifluoromethyl)-3-pyridinyl]propanamide;3-[2-piperidin-1-yl-6-(trifluoromethyl)-3-pyridinyl]-N-quinolin-3-ylpropanamide
CID 157269623
N-(4-acetyl-2,3-dihydro-1,4-benzoxazin-7-yl)-3-(4-tert-butylphenyl)propanamide;3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[3-(pyrrolidin-1-ylmethyl)phenyl]propanamide;molecular hydrogen
CID 142253752
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[2-[ethyl(3-iminopropyl)amino]-6-(trifluoromethyl)-3-pyridinyl]propanamide
CID 89357877
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-phenylbutanamide
CID 2948413
N-(1,3-benzodioxol-5-yl)-3-(6-methyl-2-oxo-1H-quinolin-3-yl)propanamide
CID 110331279
3-hydroxy-N-(1H-indol-5-yl)-3-phenylbutanamide
CID 110024564
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-(1H-indol-5-yloxy)acetamide
CID 167888440
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2-methylphenyl)sulfanylacetamide
CID 8701867
N-(1,3-benzodioxol-5-yl)-2-[[2-(1H-indol-2-yl)acetyl]amino]-2-phenylacetamide
CID 5098973
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]propanamide
CID 100756022

Frequently Asked Questions

What is the IUPAC name of 3-(6-tert-butyl-2-methyl-3-pyridinyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide;3-(6-tert-butyl-2-methyl-3-pyridinyl)-N-[2-(hydroxymethyl)-1H-indol-5-yl]propanamide;3-(6-tert-butyl-2-methyl-3-pyridinyl)-N-(1H-indol-5-yl)propanamide;3-(6-tert-butyl-2-methyl-3-pyridinyl)-N-(1H-indol-6-yl)propanamide;3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-phenylpropanamide;N-(1H-indol-6-yl)-3-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]propanamide?
The IUPAC name of 3-(6-tert-butyl-2-methyl-3-pyridinyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide;3-(6-tert-butyl-2-methyl-3-pyridinyl)-N-[2-(hydroxymethyl)-1H-indol-5-yl]propanamide;3-(6-tert-butyl-2-methyl-3-pyridinyl)-N-(1H-indol-5-yl)propanamide;3-(6-tert-butyl-2-methyl-3-pyridinyl)-N-(1H-indol-6-yl)propanamide;3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-phenylpropanamide;N-(1H-indol-6-yl)-3-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]propanamide (CID 160974888) is 3-(6-tert-butyl-2-methyl-3-pyridinyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide;3-(6-tert-butyl-2-methyl-3-pyridinyl)-N-[2-(hydroxymethyl)-1H-indol-5-yl]propanamide;3-(6-tert-butyl-2-methyl-3-pyridinyl)-N-(1H-indol-5-yl)propanamide;3-(6-tert-butyl-2-methyl-3-pyridinyl)-N-(1H-indol-6-yl)propanamide;3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-phenylpropanamide;N-(1H-indol-6-yl)-3-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]propanamide.
What is the SMILES notation for 3-(6-tert-butyl-2-methyl-3-pyridinyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide;3-(6-tert-butyl-2-methyl-3-pyridinyl)-N-[2-(hydroxymethyl)-1H-indol-5-yl]propanamide;3-(6-tert-butyl-2-methyl-3-pyridinyl)-N-(1H-indol-5-yl)propanamide;3-(6-tert-butyl-2-methyl-3-pyridinyl)-N-(1H-indol-6-yl)propanamide;3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-phenylpropanamide;N-(1H-indol-6-yl)-3-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]propanamide?
The canonical SMILES for 3-(6-tert-butyl-2-methyl-3-pyridinyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide;3-(6-tert-butyl-2-methyl-3-pyridinyl)-N-[2-(hydroxymethyl)-1H-indol-5-yl]propanamide;3-(6-tert-butyl-2-methyl-3-pyridinyl)-N-(1H-indol-5-yl)propanamide;3-(6-tert-butyl-2-methyl-3-pyridinyl)-N-(1H-indol-6-yl)propanamide;3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-phenylpropanamide;N-(1H-indol-6-yl)-3-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]propanamide is CC(C)(C)c1ccc(C(CC(=O)Nc2ccc3c(c2)OCCO3)c2ccccc2)cc1.Cc1nc(C(C)(C)C)ccc1CCC(=O)Nc1ccc2[nH]c(CO)cc2c1.Cc1nc(C(C)(C)C)ccc1CCC(=O)Nc1ccc2[nH]ccc2c1.Cc1nc(C(C)(C)C)ccc1CCC(=O)Nc1ccc2c(c1)OCCO2.Cc1nc(C(C)(C)C)ccc1CCC(=O)Nc1ccc2cc[nH]c2c1.Cc1nc(C(F)(F)F)ccc1CCC(=O)Nc1ccc2cc[nH]c2c1.
What is the InChIKey of 3-(6-tert-butyl-2-methyl-3-pyridinyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide;3-(6-tert-butyl-2-methyl-3-pyridinyl)-N-[2-(hydroxymethyl)-1H-indol-5-yl]propanamide;3-(6-tert-butyl-2-methyl-3-pyridinyl)-N-(1H-indol-5-yl)propanamide;3-(6-tert-butyl-2-methyl-3-pyridinyl)-N-(1H-indol-6-yl)propanamide;3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-phenylpropanamide;N-(1H-indol-6-yl)-3-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]propanamide?
The InChIKey is SYSOBTWCKVIUEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29NO3.C22H27N3O2.2C21H25N3O.C21H26N2O3.C18H16F3N3O/c1-27(2,3)21-11-9-20(10-12-21)23(19-7-5-4-6-8-19)18-26(29)28-22-13-14-24-25(17-22)31-16-15-30-24;1-14-15(5-9-20(23-14)22(2,3)4)6-10-21(27)25-17-7-8-19-16(11-17)12-18(13-26)24-19;1-14-15(5-9-19(23-14)21(2,3)4)6-10-20(25)24-17-7-8-18-16(13-17)11-12-22-18;1-14-15(6-9-19(23-14)21(2,3)4)7-10-20(25)24-17-8-5-16-11-12-22-18(16)13-17;1-14-15(5-9-19(22-14)21(2,3)4)6-10-20(24)23-16-7-8-17-18(13-16)26-12-11-25-17;1-11-12(3-6-16(23-11)18(19,20)21)4-7-17(25)24-14-5-2-13-8-9-22-15(13)10-14/h4-14,17,23H,15-16,18H2,1-3H3,(H,28,29);5,7-9,11-12,24,26H,6,10,13H2,1-4H3,(H,25,27);5,7-9,11-13,22H,6,10H2,1-4H3,(H,24,25);5-6,8-9,11-13,22H,7,10H2,1-4H3,(H,24,25);5,7-9,13H,6,10-12H2,1-4H3,(H,23,24);2-3,5-6,8-10,22H,4,7H2,1H3,(H,24,25).
What are the key properties of 3-(6-tert-butyl-2-methyl-3-pyridinyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide;3-(6-tert-butyl-2-methyl-3-pyridinyl)-N-[2-(hydroxymethyl)-1H-indol-5-yl]propanamide;3-(6-tert-butyl-2-methyl-3-pyridinyl)-N-(1H-indol-5-yl)propanamide;3-(6-tert-butyl-2-methyl-3-pyridinyl)-N-(1H-indol-6-yl)propanamide;3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-phenylpropanamide;N-(1H-indol-6-yl)-3-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]propanamide?
3-(6-tert-butyl-2-methyl-3-pyridinyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide;3-(6-tert-butyl-2-methyl-3-pyridinyl)-N-[2-(hydroxymethyl)-1H-indol-5-yl]propanamide;3-(6-tert-butyl-2-methyl-3-pyridinyl)-N-(1H-indol-5-yl)propanamide;3-(6-tert-butyl-2-methyl-3-pyridinyl)-N-(1H-indol-6-yl)propanamide;3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-phenylpropanamide;N-(1H-indol-6-yl)-3-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]propanamide has a molecular weight of 2153.70 g/mol, XLogP of 28.12, 26 rotatable bonds, 11 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-tert-butyl-2-methyl-3-pyridinyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide;3-(6-tert-butyl-2-methyl-3-pyridinyl)-N-[2-(hydroxymethyl)-1H-indol-5-yl]propanamide;3-(6-tert-butyl-2-methyl-3-pyridinyl)-N-(1H-indol-5-yl)propanamide;3-(6-tert-butyl-2-methyl-3-pyridinyl)-N-(1H-indol-6-yl)propanamide;3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-phenylpropanamide;N-(1H-indol-6-yl)-3-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]propanamide is sourced from PubChem (CID 160974888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).