6-cyclopropyl-5-methoxy-N-[3-[(1S)-1-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]phenyl]pyridine-2-carboxamide

C21H23N5O2S — CID 139360503

IUPAC6-cyclopropyl-5-methoxy-N-[3-[(1S)-1-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]phenyl]pyridine-2-carboxamide
SMILESCOc1ccc(C(=O)Nc2cccc([C@H](C)Sc3nncn3C)c2)nc1C1CC1
InChIInChI=1S/C21H23N5O2S/c1-13(29-21-25-22-12-26(21)2)15-5-4-6-16(11-15)23-20(27)17-9-10-18(28-3)19(24-17)14-7-8-14/h4-6,9-14H,7-8H2,1-3H3,(H,23,27)/t13-/m0/s1
InChIKeySTXZVRVYVCVCMD-ZDUSSCGKSA-N
MW409.52 g/mol
LogP4.20
Rot. Bonds7

About 6-cyclopropyl-5-methoxy-N-[3-[(1S)-1-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]phenyl]pyridine-2-carboxamide

6-cyclopropyl-5-methoxy-N-[3-[(1S)-1-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]phenyl]pyridine-2-carboxamide (PubChem CID 139360503) has the molecular formula C21H23N5O2S and a molecular weight of 409.52 g/mol. Its IUPAC name is 6-cyclopropyl-5-methoxy-N-[3-[(1S)-1-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]phenyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name6-cyclopropyl-5-methoxy-N-[3-[(1S)-1-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]phenyl]pyridine-2-carboxamide
PubChem CID139360503
Molecular FormulaC21H23N5O2S
Molecular Weight409.52 g/mol
Exact Mass409.16
IUPAC Name6-cyclopropyl-5-methoxy-N-[3-[(1S)-1-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]phenyl]pyridine-2-carboxamide
SMILESCOc1ccc(C(=O)Nc2cccc([C@H](C)Sc3nncn3C)c2)nc1C1CC1
InChIInChI=1S/C21H23N5O2S/c1-13(29-21-25-22-12-26(21)2)15-5-4-6-16(11-15)23-20(27)17-9-10-18(28-3)19(24-17)14-7-8-14/h4-6,9-14H,7-8H2,1-3H3,(H,23,27)/t13-/m0/s1
InChIKeySTXZVRVYVCVCMD-ZDUSSCGKSA-N
XLogP4.20
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.52
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

6-cyclopropyl-5-(hydroxymethyl)-N-[3-[(1S)-1-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]phenyl]pyridine-2-carboxamide
CID 139350459
4-methoxy-N-[3-[(1S)-1-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]phenyl]-6-(trifluoromethyl)pyridine-2-carboxamide
CID 139360320
1-methoxy-N-[3-[(1S)-1-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]phenyl]isoquinoline-3-carboxamide
CID 139360746
6-methoxy-N-[3-[(1S)-1-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]phenyl]pyridine-2-carboxamide
CID 139360898
N-[2-methoxy-5-[1-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]phenyl]quinoline-2-carboxamide
CID 139349750
N-[5-[1-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]-2-(trifluoromethoxy)phenyl]-6-(trifluoromethyl)pyridine-2-carboxamide
CID 139350415
6-methoxy-N-[3-[(1S)-1-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]phenyl]-4-(trifluoromethyl)pyridine-2-carboxamide
CID 139360802
6-ethoxy-N-[3-[(1S)-1-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]phenyl]pyridine-2-carboxamide
CID 139361177
N-[4-(2-amino-2-oxoethyl)phenyl]-3-(4-methoxyphenyl)sulfanyl-6-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]pyridine-2-carboxamide
CID 76902784
[(1R,2R)-1-fluoro-1-[2-fluoro-5-[[5-(fluoromethoxy)pyridine-2-carbonyl]amino]phenyl]propan-2-yl] N'-methylcarbamimidothioate
CID 126693335
[(1R,2R)-1-fluoro-1-[2-fluoro-5-[[5-(fluoromethoxy)pyridine-2-carbonyl]amino]phenyl]butan-2-yl] N'-methylcarbamimidothioate
CID 126693379
[(1R,2R)-1-fluoro-1-[2-fluoro-5-[(5-methoxypyridine-2-carbonyl)amino]phenyl]propan-2-yl] N'-methylcarbamimidothioate
CID 126693403

Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-5-methoxy-N-[3-[(1S)-1-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]phenyl]pyridine-2-carboxamide?
The IUPAC name of 6-cyclopropyl-5-methoxy-N-[3-[(1S)-1-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]phenyl]pyridine-2-carboxamide (CID 139360503) is 6-cyclopropyl-5-methoxy-N-[3-[(1S)-1-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]phenyl]pyridine-2-carboxamide.
What is the SMILES notation for 6-cyclopropyl-5-methoxy-N-[3-[(1S)-1-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]phenyl]pyridine-2-carboxamide?
The canonical SMILES for 6-cyclopropyl-5-methoxy-N-[3-[(1S)-1-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]phenyl]pyridine-2-carboxamide is COc1ccc(C(=O)Nc2cccc([C@H](C)Sc3nncn3C)c2)nc1C1CC1.
What is the InChIKey of 6-cyclopropyl-5-methoxy-N-[3-[(1S)-1-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]phenyl]pyridine-2-carboxamide?
The InChIKey is STXZVRVYVCVCMD-ZDUSSCGKSA-N. The full InChI is InChI=1S/C21H23N5O2S/c1-13(29-21-25-22-12-26(21)2)15-5-4-6-16(11-15)23-20(27)17-9-10-18(28-3)19(24-17)14-7-8-14/h4-6,9-14H,7-8H2,1-3H3,(H,23,27)/t13-/m0/s1.
What are the key properties of 6-cyclopropyl-5-methoxy-N-[3-[(1S)-1-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]phenyl]pyridine-2-carboxamide?
6-cyclopropyl-5-methoxy-N-[3-[(1S)-1-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]phenyl]pyridine-2-carboxamide has a molecular weight of 409.52 g/mol, XLogP of 4.20, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-5-methoxy-N-[3-[(1S)-1-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]phenyl]pyridine-2-carboxamide is sourced from PubChem (CID 139360503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).