3-(6-tert-butyl-3-pyridinyl)-N-(2-oxo-3,4-dihydro-1H-quinolin-7-yl)propanamide;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[2-piperidin-1-yl-6-(trifluoromethyl)-3-pyridinyl]propanamide;3-[2-fluoro-4-(trifluoromethyl)phenyl]-N-(1H-indol-6-yl)propanamide;N-(1H-indol-5-yl)-3-[4-(trifluoromethyl)phenyl]propanamide;3-[2-piperidin-1-yl-6-(trifluoromethyl)-3-pyridinyl]-N-quinolin-7-ylpropanamide

C102H101F13N14O8 — CID 159170657

IUPAC3-(6-tert-butyl-3-pyridinyl)-N-(2-oxo-3,4-dihydro-1H-quinolin-7-yl)propanamide;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[2-piperidin-1-yl-6-(trifluoromethyl)-3-pyridinyl]propanamide;3-[2-fluoro-4-(trifluoromethyl)phenyl]-N-(1H-indol-6-yl)propanamide;N-(1H-indol-5-yl)-3-[4-(trifluoromethyl)phenyl]propanamide;3-[2-piperidin-1-yl-6-(trifluoromethyl)-3-pyridinyl]-N-quinolin-7-ylpropanamide
SMILESCC(C)(C)c1ccc(CCC(=O)Nc2ccc3c(c2)NC(=O)CC3)cn1.O=C(CCc1ccc(C(F)(F)F)cc1)Nc1ccc2[nH]ccc2c1.O=C(CCc1ccc(C(F)(F)F)cc1F)Nc1ccc2cc[nH]c2c1.O=C(CCc1ccc(C(F)(F)F)nc1N1CCCCC1)Nc1ccc2c(c1)OCCO2.O=C(CCc1ccc(C(F)(F)F)nc1N1CCCCC1)Nc1ccc2cccnc2c1
InChIInChI=1S/C23H23F3N4O.C22H24F3N3O3.C21H25N3O2.C18H14F4N2O.C18H15F3N2O/c24-23(25,26)20-10-7-17(22(29-20)30-13-2-1-3-14-30)8-11-21(31)28-18-9-6-16-5-4-12-27-19(16)15-18;23-22(24,25)19-8-4-15(21(27-19)28-10-2-1-3-11-28)5-9-20(29)26-16-6-7-17-18(14-16)31-13-12-30-17;1-21(2,3)18-9-4-14(13-22-18)5-10-19(25)23-16-8-6-15-7-11-20(26)24-17(15)12-16;19-15-9-13(18(20,21)22)4-1-11(15)3-6-17(25)24-14-5-2-12-7-8-23-16(12)10-14;19-18(20,21)14-4-1-12(2-5-14)3-8-17(24)23-15-6-7-16-13(11-15)9-10-22-16/h4-7,9-10,12,15H,1-3,8,11,13-14H2,(H,28,31);4,6-8,14H,1-3,5,9-13H2,(H,26,29);4,6,8-9,12-13H,5,7,10-11H2,1-3H3,(H,23,25)(H,24,26);1-2,4-5,7-10,23H,3,6H2,(H,24,25);1-2,4-7,9-11,22H,3,8H2,(H,23,24)
InChIKeyKLQJXTWYMJMOSB-UHFFFAOYSA-N
MW1897.99 g/mol
LogP23.13
Rot. Bonds22

About 3-(6-tert-butyl-3-pyridinyl)-N-(2-oxo-3,4-dihydro-1H-quinolin-7-yl)propanamide;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[2-piperidin-1-yl-6-(trifluoromethyl)-3-pyridinyl]propanamide;3-[2-fluoro-4-(trifluoromethyl)phenyl]-N-(1H-indol-6-yl)propanamide;N-(1H-indol-5-yl)-3-[4-(trifluoromethyl)phenyl]propanamide;3-[2-piperidin-1-yl-6-(trifluoromethyl)-3-pyridinyl]-N-quinolin-7-ylpropanamide

3-(6-tert-butyl-3-pyridinyl)-N-(2-oxo-3,4-dihydro-1H-quinolin-7-yl)propanamide;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[2-piperidin-1-yl-6-(trifluoromethyl)-3-pyridinyl]propanamide;3-[2-fluoro-4-(trifluoromethyl)phenyl]-N-(1H-indol-6-yl)propanamide;N-(1H-indol-5-yl)-3-[4-(trifluoromethyl)phenyl]propanamide;3-[2-piperidin-1-yl-6-(trifluoromethyl)-3-pyridinyl]-N-quinolin-7-ylpropanamide (PubChem CID 159170657) has the molecular formula C102H101F13N14O8 and a molecular weight of 1897.99 g/mol. Its IUPAC name is 3-(6-tert-butyl-3-pyridinyl)-N-(2-oxo-3,4-dihydro-1H-quinolin-7-yl)propanamide;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[2-piperidin-1-yl-6-(trifluoromethyl)-3-pyridinyl]propanamide;3-[2-fluoro-4-(trifluoromethyl)phenyl]-N-(1H-indol-6-yl)propanamide;N-(1H-indol-5-yl)-3-[4-(trifluoromethyl)phenyl]propanamide;3-[2-piperidin-1-yl-6-(trifluoromethyl)-3-pyridinyl]-N-quinolin-7-ylpropanamide.

Molecular Properties

Compound Name3-(6-tert-butyl-3-pyridinyl)-N-(2-oxo-3,4-dihydro-1H-quinolin-7-yl)propanamide;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[2-piperidin-1-yl-6-(trifluoromethyl)-3-pyridinyl]propanamide;3-[2-fluoro-4-(trifluoromethyl)phenyl]-N-(1H-indol-6-yl)propanamide;N-(1H-indol-5-yl)-3-[4-(trifluoromethyl)phenyl]propanamide;3-[2-piperidin-1-yl-6-(trifluoromethyl)-3-pyridinyl]-N-quinolin-7-ylpropanamide
PubChem CID159170657
Molecular FormulaC102H101F13N14O8
Molecular Weight1897.99 g/mol
Exact Mass1896.77
IUPAC Name3-(6-tert-butyl-3-pyridinyl)-N-(2-oxo-3,4-dihydro-1H-quinolin-7-yl)propanamide;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[2-piperidin-1-yl-6-(trifluoromethyl)-3-pyridinyl]propanamide;3-[2-fluoro-4-(trifluoromethyl)phenyl]-N-(1H-indol-6-yl)propanamide;N-(1H-indol-5-yl)-3-[4-(trifluoromethyl)phenyl]propanamide;3-[2-piperidin-1-yl-6-(trifluoromethyl)-3-pyridinyl]-N-quinolin-7-ylpropanamide
SMILESCC(C)(C)c1ccc(CCC(=O)Nc2ccc3c(c2)NC(=O)CC3)cn1.O=C(CCc1ccc(C(F)(F)F)cc1)Nc1ccc2[nH]ccc2c1.O=C(CCc1ccc(C(F)(F)F)cc1F)Nc1ccc2cc[nH]c2c1.O=C(CCc1ccc(C(F)(F)F)nc1N1CCCCC1)Nc1ccc2c(c1)OCCO2.O=C(CCc1ccc(C(F)(F)F)nc1N1CCCCC1)Nc1ccc2cccnc2c1
InChIInChI=1S/C23H23F3N4O.C22H24F3N3O3.C21H25N3O2.C18H14F4N2O.C18H15F3N2O/c24-23(25,26)20-10-7-17(22(29-20)30-13-2-1-3-14-30)8-11-21(31)28-18-9-6-16-5-4-12-27-19(16)15-18;23-22(24,25)19-8-4-15(21(27-19)28-10-2-1-3-11-28)5-9-20(29)26-16-6-7-17-18(14-16)31-13-12-30-17;1-21(2,3)18-9-4-14(13-22-18)5-10-19(25)23-16-8-6-15-7-11-20(26)24-17(15)12-16;19-15-9-13(18(20,21)22)4-1-11(15)3-6-17(25)24-14-5-2-12-7-8-23-16(12)10-14;19-18(20,21)14-4-1-12(2-5-14)3-8-17(24)23-15-6-7-16-13(11-15)9-10-22-16/h4-7,9-10,12,15H,1-3,8,11,13-14H2,(H,28,31);4,6-8,14H,1-3,5,9-13H2,(H,26,29);4,6,8-9,12-13H,5,7,10-11H2,1-3H3,(H,23,25)(H,24,26);1-2,4-5,7-10,23H,3,6H2,(H,24,25);1-2,4-7,9-11,22H,3,8H2,(H,23,24)
InChIKeyKLQJXTWYMJMOSB-UHFFFAOYSA-N
XLogP23.13
TPSA282.68 Ų
H-Bond Donors8
H-Bond Acceptors14
Rotatable Bonds22
Heavy Atoms137
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001897.99
LogP ≤ 523.13
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1014

Analyze 3-(6-tert-butyl-3-pyridinyl)-N-(2-oxo-3,4-dihydro-1H-quinolin-7-yl)propanamide;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[2-piperidin-1-yl-6-(trifluoromethyl)-3-pyridinyl]propanamide;3-[2-fluoro-4-(trifluoromethyl)phenyl]-N-(1H-indol-6-yl)propanamide;N-(1H-indol-5-yl)-3-[4-(trifluoromethyl)phenyl]propanamide;3-[2-piperidin-1-yl-6-(trifluoromethyl)-3-pyridinyl]-N-quinolin-7-ylpropanamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-(6-tert-butyl-3-pyridinyl)-N-(2-oxo-3,4-dihydro-1H-quinolin-7-yl)propanamide;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[2-piperidin-1-yl-6-(trifluoromethyl)-3-pyridinyl]propanamide;3-[2-fluoro-4-(trifluoromethyl)phenyl]-N-(1H-indol-6-yl)propanamide;N-(1H-indol-5-yl)-3-[4-(trifluoromethyl)phenyl]propanamide;3-[2-piperidin-1-yl-6-(trifluoromethyl)-3-pyridinyl]-N-quinolin-7-ylpropanamide?
The IUPAC name of 3-(6-tert-butyl-3-pyridinyl)-N-(2-oxo-3,4-dihydro-1H-quinolin-7-yl)propanamide;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[2-piperidin-1-yl-6-(trifluoromethyl)-3-pyridinyl]propanamide;3-[2-fluoro-4-(trifluoromethyl)phenyl]-N-(1H-indol-6-yl)propanamide;N-(1H-indol-5-yl)-3-[4-(trifluoromethyl)phenyl]propanamide;3-[2-piperidin-1-yl-6-(trifluoromethyl)-3-pyridinyl]-N-quinolin-7-ylpropanamide (CID 159170657) is 3-(6-tert-butyl-3-pyridinyl)-N-(2-oxo-3,4-dihydro-1H-quinolin-7-yl)propanamide;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[2-piperidin-1-yl-6-(trifluoromethyl)-3-pyridinyl]propanamide;3-[2-fluoro-4-(trifluoromethyl)phenyl]-N-(1H-indol-6-yl)propanamide;N-(1H-indol-5-yl)-3-[4-(trifluoromethyl)phenyl]propanamide;3-[2-piperidin-1-yl-6-(trifluoromethyl)-3-pyridinyl]-N-quinolin-7-ylpropanamide.
What is the SMILES notation for 3-(6-tert-butyl-3-pyridinyl)-N-(2-oxo-3,4-dihydro-1H-quinolin-7-yl)propanamide;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[2-piperidin-1-yl-6-(trifluoromethyl)-3-pyridinyl]propanamide;3-[2-fluoro-4-(trifluoromethyl)phenyl]-N-(1H-indol-6-yl)propanamide;N-(1H-indol-5-yl)-3-[4-(trifluoromethyl)phenyl]propanamide;3-[2-piperidin-1-yl-6-(trifluoromethyl)-3-pyridinyl]-N-quinolin-7-ylpropanamide?
The canonical SMILES for 3-(6-tert-butyl-3-pyridinyl)-N-(2-oxo-3,4-dihydro-1H-quinolin-7-yl)propanamide;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[2-piperidin-1-yl-6-(trifluoromethyl)-3-pyridinyl]propanamide;3-[2-fluoro-4-(trifluoromethyl)phenyl]-N-(1H-indol-6-yl)propanamide;N-(1H-indol-5-yl)-3-[4-(trifluoromethyl)phenyl]propanamide;3-[2-piperidin-1-yl-6-(trifluoromethyl)-3-pyridinyl]-N-quinolin-7-ylpropanamide is CC(C)(C)c1ccc(CCC(=O)Nc2ccc3c(c2)NC(=O)CC3)cn1.O=C(CCc1ccc(C(F)(F)F)cc1)Nc1ccc2[nH]ccc2c1.O=C(CCc1ccc(C(F)(F)F)cc1F)Nc1ccc2cc[nH]c2c1.O=C(CCc1ccc(C(F)(F)F)nc1N1CCCCC1)Nc1ccc2c(c1)OCCO2.O=C(CCc1ccc(C(F)(F)F)nc1N1CCCCC1)Nc1ccc2cccnc2c1.
What is the InChIKey of 3-(6-tert-butyl-3-pyridinyl)-N-(2-oxo-3,4-dihydro-1H-quinolin-7-yl)propanamide;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[2-piperidin-1-yl-6-(trifluoromethyl)-3-pyridinyl]propanamide;3-[2-fluoro-4-(trifluoromethyl)phenyl]-N-(1H-indol-6-yl)propanamide;N-(1H-indol-5-yl)-3-[4-(trifluoromethyl)phenyl]propanamide;3-[2-piperidin-1-yl-6-(trifluoromethyl)-3-pyridinyl]-N-quinolin-7-ylpropanamide?
The InChIKey is KLQJXTWYMJMOSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23F3N4O.C22H24F3N3O3.C21H25N3O2.C18H14F4N2O.C18H15F3N2O/c24-23(25,26)20-10-7-17(22(29-20)30-13-2-1-3-14-30)8-11-21(31)28-18-9-6-16-5-4-12-27-19(16)15-18;23-22(24,25)19-8-4-15(21(27-19)28-10-2-1-3-11-28)5-9-20(29)26-16-6-7-17-18(14-16)31-13-12-30-17;1-21(2,3)18-9-4-14(13-22-18)5-10-19(25)23-16-8-6-15-7-11-20(26)24-17(15)12-16;19-15-9-13(18(20,21)22)4-1-11(15)3-6-17(25)24-14-5-2-12-7-8-23-16(12)10-14;19-18(20,21)14-4-1-12(2-5-14)3-8-17(24)23-15-6-7-16-13(11-15)9-10-22-16/h4-7,9-10,12,15H,1-3,8,11,13-14H2,(H,28,31);4,6-8,14H,1-3,5,9-13H2,(H,26,29);4,6,8-9,12-13H,5,7,10-11H2,1-3H3,(H,23,25)(H,24,26);1-2,4-5,7-10,23H,3,6H2,(H,24,25);1-2,4-7,9-11,22H,3,8H2,(H,23,24).
What are the key properties of 3-(6-tert-butyl-3-pyridinyl)-N-(2-oxo-3,4-dihydro-1H-quinolin-7-yl)propanamide;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[2-piperidin-1-yl-6-(trifluoromethyl)-3-pyridinyl]propanamide;3-[2-fluoro-4-(trifluoromethyl)phenyl]-N-(1H-indol-6-yl)propanamide;N-(1H-indol-5-yl)-3-[4-(trifluoromethyl)phenyl]propanamide;3-[2-piperidin-1-yl-6-(trifluoromethyl)-3-pyridinyl]-N-quinolin-7-ylpropanamide?
3-(6-tert-butyl-3-pyridinyl)-N-(2-oxo-3,4-dihydro-1H-quinolin-7-yl)propanamide;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[2-piperidin-1-yl-6-(trifluoromethyl)-3-pyridinyl]propanamide;3-[2-fluoro-4-(trifluoromethyl)phenyl]-N-(1H-indol-6-yl)propanamide;N-(1H-indol-5-yl)-3-[4-(trifluoromethyl)phenyl]propanamide;3-[2-piperidin-1-yl-6-(trifluoromethyl)-3-pyridinyl]-N-quinolin-7-ylpropanamide has a molecular weight of 1897.99 g/mol, XLogP of 23.13, 22 rotatable bonds, 8 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-tert-butyl-3-pyridinyl)-N-(2-oxo-3,4-dihydro-1H-quinolin-7-yl)propanamide;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[2-piperidin-1-yl-6-(trifluoromethyl)-3-pyridinyl]propanamide;3-[2-fluoro-4-(trifluoromethyl)phenyl]-N-(1H-indol-6-yl)propanamide;N-(1H-indol-5-yl)-3-[4-(trifluoromethyl)phenyl]propanamide;3-[2-piperidin-1-yl-6-(trifluoromethyl)-3-pyridinyl]-N-quinolin-7-ylpropanamide is sourced from PubChem (CID 159170657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).