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

C142H147F15N24O10 — CID 157269623

IUPAC3-(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
SMILESCC(C)(C)c1ccc(CCC(=O)Nc2ccc(OCCO)nc2)cc1.CC(C)(C)c1ccc(CCC(=O)Nc2ccc3cc[nH]c3c2)cn1.CN1CCN(c2nc(C(F)(F)F)ccc2CCC(=O)Nc2ccc3[nH]ccc3c2)CC1.O=C(CCc1ccc(C(F)(F)F)nc1)Nc1ccc2[nH]ccc2c1.O=C(CCc1ccc(C(F)(F)F)nc1)Nc1ccc2cc[nH]c2c1.O=C(CCc1ccc(C(F)(F)F)nc1N1CCC(O)CC1)Nc1cnc2ccccc2c1.O=C(CCc1ccc(C(F)(F)F)nc1N1CCCCC1)Nc1cnc2ccccc2c1
InChIInChI=1S/C23H23F3N4O2.C23H23F3N4O.C22H24F3N5O.C20H23N3O.C20H26N2O3.2C17H14F3N3O/c24-23(25,26)20-7-5-15(22(29-20)30-11-9-18(31)10-12-30)6-8-21(32)28-17-13-16-3-1-2-4-19(16)27-14-17;24-23(25,26)20-10-8-16(22(29-20)30-12-4-1-5-13-30)9-11-21(31)28-18-14-17-6-2-3-7-19(17)27-15-18;1-29-10-12-30(13-11-29)21-15(2-6-19(28-21)22(23,24)25)3-7-20(31)27-17-4-5-18-16(14-17)8-9-26-18;1-20(2,3)18-8-4-14(13-22-18)5-9-19(24)23-16-7-6-15-10-11-21-17(15)12-16;1-20(2,3)16-7-4-15(5-8-16)6-10-18(24)22-17-9-11-19(21-14-17)25-13-12-23;18-17(19,20)15-5-1-11(10-22-15)2-6-16(24)23-13-3-4-14-12(9-13)7-8-21-14;18-17(19,20)15-5-1-11(10-22-15)2-6-16(24)23-13-4-3-12-7-8-21-14(12)9-13/h1-5,7,13-14,18,31H,6,8-12H2,(H,28,32);2-3,6-8,10,14-15H,1,4-5,9,11-13H2,(H,28,31);2,4-6,8-9,14,26H,3,7,10-13H2,1H3,(H,27,31);4,6-8,10-13,21H,5,9H2,1-3H3,(H,23,24);4-5,7-9,11,14,23H,6,10,12-13H2,1-3H3,(H,22,24);2*1,3-5,7-10,21H,2,6H2,(H,23,24)
InChIKeyAYJPWEXWDZLNQE-UHFFFAOYSA-N
MW2634.87 g/mol
LogP29.36
Rot. Bonds34

About 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

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 (PubChem CID 157269623) has the molecular formula C142H147F15N24O10 and a molecular weight of 2634.87 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name3-(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
PubChem CID157269623
Molecular FormulaC142H147F15N24O10
Molecular Weight2634.87 g/mol
Exact Mass2633.15
IUPAC Name3-(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
SMILESCC(C)(C)c1ccc(CCC(=O)Nc2ccc(OCCO)nc2)cc1.CC(C)(C)c1ccc(CCC(=O)Nc2ccc3cc[nH]c3c2)cn1.CN1CCN(c2nc(C(F)(F)F)ccc2CCC(=O)Nc2ccc3[nH]ccc3c2)CC1.O=C(CCc1ccc(C(F)(F)F)nc1)Nc1ccc2[nH]ccc2c1.O=C(CCc1ccc(C(F)(F)F)nc1)Nc1ccc2cc[nH]c2c1.O=C(CCc1ccc(C(F)(F)F)nc1N1CCC(O)CC1)Nc1cnc2ccccc2c1.O=C(CCc1ccc(C(F)(F)F)nc1N1CCCCC1)Nc1cnc2ccccc2c1
InChIInChI=1S/C23H23F3N4O2.C23H23F3N4O.C22H24F3N5O.C20H23N3O.C20H26N2O3.2C17H14F3N3O/c24-23(25,26)20-7-5-15(22(29-20)30-11-9-18(31)10-12-30)6-8-21(32)28-17-13-16-3-1-2-4-19(16)27-14-17;24-23(25,26)20-10-8-16(22(29-20)30-12-4-1-5-13-30)9-11-21(31)28-18-14-17-6-2-3-7-19(17)27-15-18;1-29-10-12-30(13-11-29)21-15(2-6-19(28-21)22(23,24)25)3-7-20(31)27-17-4-5-18-16(14-17)8-9-26-18;1-20(2,3)18-8-4-14(13-22-18)5-9-19(24)23-16-7-6-15-10-11-21-17(15)12-16;1-20(2,3)16-7-4-15(5-8-16)6-10-18(24)22-17-9-11-19(21-14-17)25-13-12-23;18-17(19,20)15-5-1-11(10-22-15)2-6-16(24)23-13-3-4-14-12(9-13)7-8-21-14;18-17(19,20)15-5-1-11(10-22-15)2-6-16(24)23-13-4-3-12-7-8-21-14(12)9-13/h1-5,7,13-14,18,31H,6,8-12H2,(H,28,32);2-3,6-8,10,14-15H,1,4-5,9,11-13H2,(H,28,31);2,4-6,8-9,14,26H,3,7,10-13H2,1H3,(H,27,31);4,6-8,10-13,21H,5,9H2,1-3H3,(H,23,24);4-5,7-9,11,14,23H,6,10,12-13H2,1-3H3,(H,22,24);2*1,3-5,7-10,21H,2,6H2,(H,23,24)
InChIKeyAYJPWEXWDZLNQE-UHFFFAOYSA-N
XLogP29.36
TPSA445.52 Ų
H-Bond Donors13
H-Bond Acceptors23
Rotatable Bonds34
Heavy Atoms191
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002634.87
LogP ≤ 529.36
H-Bond Donors ≤ 513
H-Bond Acceptors ≤ 1023

Analyze 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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(C)(C)c1ccc(CCC(=O)Nc2ccc(OCCO)nc2)cc1.CC(C)(C)c1ccc(CCC(=O)Nc2ccc3cc[nH]c3c2)cn1.CN1CCN(c2nc(C(F)(F)F)ccc2CCC(=O)Nc2ccc3[nH]ccc3c2)CC1.O=C(CCc1ccc(C(F)(F)F)nc1)Nc1ccc2[nH]ccc2c1.O=C(CCc1ccc(C(F)(F)F)nc1)Nc1ccc2cc[nH]c2c1.O=C(CCc1ccc(C(F)(F)F)nc1N1CCC(O)CC1)Nc1cnc2ccccc2c1.O=C(CCc1ccc(C(F)(F)F)nc1N1CCCCC1)Nc1cnc2ccccc2c1.
What is the InChIKey of 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?
The InChIKey is AYJPWEXWDZLNQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23F3N4O2.C23H23F3N4O.C22H24F3N5O.C20H23N3O.C20H26N2O3.2C17H14F3N3O/c24-23(25,26)20-7-5-15(22(29-20)30-11-9-18(31)10-12-30)6-8-21(32)28-17-13-16-3-1-2-4-19(16)27-14-17;24-23(25,26)20-10-8-16(22(29-20)30-12-4-1-5-13-30)9-11-21(31)28-18-14-17-6-2-3-7-19(17)27-15-18;1-29-10-12-30(13-11-29)21-15(2-6-19(28-21)22(23,24)25)3-7-20(31)27-17-4-5-18-16(14-17)8-9-26-18;1-20(2,3)18-8-4-14(13-22-18)5-9-19(24)23-16-7-6-15-10-11-21-17(15)12-16;1-20(2,3)16-7-4-15(5-8-16)6-10-18(24)22-17-9-11-19(21-14-17)25-13-12-23;18-17(19,20)15-5-1-11(10-22-15)2-6-16(24)23-13-3-4-14-12(9-13)7-8-21-14;18-17(19,20)15-5-1-11(10-22-15)2-6-16(24)23-13-4-3-12-7-8-21-14(12)9-13/h1-5,7,13-14,18,31H,6,8-12H2,(H,28,32);2-3,6-8,10,14-15H,1,4-5,9,11-13H2,(H,28,31);2,4-6,8-9,14,26H,3,7,10-13H2,1H3,(H,27,31);4,6-8,10-13,21H,5,9H2,1-3H3,(H,23,24);4-5,7-9,11,14,23H,6,10,12-13H2,1-3H3,(H,22,24);2*1,3-5,7-10,21H,2,6H2,(H,23,24).
What are the key properties of 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?
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 has a molecular weight of 2634.87 g/mol, XLogP of 29.36, 34 rotatable bonds, 13 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 157269623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).