2-phenylsulfanyl-N-[3-(pyridine-4-carbonylamino)phenyl]pyridine-3-carboxamide

C24H18N4O2S — CID 39677967

IUPAC2-phenylsulfanyl-N-[3-(pyridine-4-carbonylamino)phenyl]pyridine-3-carboxamide
SMILESO=C(Nc1cccc(NC(=O)c2cccnc2Sc2ccccc2)c1)c1ccncc1
InChIInChI=1S/C24H18N4O2S/c29-22(17-11-14-25-15-12-17)27-18-6-4-7-19(16-18)28-23(30)21-10-5-13-26-24(21)31-20-8-2-1-3-9-20/h1-16H,(H,27,29)(H,28,30)
InChIKeyVKMWWQRRQSQEIZ-UHFFFAOYSA-N
MW426.50 g/mol
LogP5.13
Rot. Bonds6

About 2-phenylsulfanyl-N-[3-(pyridine-4-carbonylamino)phenyl]pyridine-3-carboxamide

2-phenylsulfanyl-N-[3-(pyridine-4-carbonylamino)phenyl]pyridine-3-carboxamide (PubChem CID 39677967) has the molecular formula C24H18N4O2S and a molecular weight of 426.50 g/mol. Its IUPAC name is 2-phenylsulfanyl-N-[3-(pyridine-4-carbonylamino)phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-phenylsulfanyl-N-[3-(pyridine-4-carbonylamino)phenyl]pyridine-3-carboxamide
PubChem CID39677967
Molecular FormulaC24H18N4O2S
Molecular Weight426.50 g/mol
Exact Mass426.12
IUPAC Name2-phenylsulfanyl-N-[3-(pyridine-4-carbonylamino)phenyl]pyridine-3-carboxamide
SMILESO=C(Nc1cccc(NC(=O)c2cccnc2Sc2ccccc2)c1)c1ccncc1
InChIInChI=1S/C24H18N4O2S/c29-22(17-11-14-25-15-12-17)27-18-6-4-7-19(16-18)28-23(30)21-10-5-13-26-24(21)31-20-8-2-1-3-9-20/h1-16H,(H,27,29)(H,28,30)
InChIKeyVKMWWQRRQSQEIZ-UHFFFAOYSA-N
XLogP5.13
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.50
LogP ≤ 55.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-chlorophenyl)-2-phenylsulfanylpyridine-3-carboxamide
CID 26086401
N-[3-(cyclopropanecarbonylamino)phenyl]-2-phenylsulfanylpyridine-3-carboxamide
CID 38326707
2-[(4-fluorophenyl)methylsulfanyl]-N-[3-(pyridine-4-carbonylamino)phenyl]pyridine-3-carboxamide
CID 55760593
2-phenylsulfanyl-N-[4-(pyrrolidine-1-carbonyl)phenyl]pyridine-3-carboxamide
CID 55532652
N-[3-(naphthalene-1-carbonylamino)phenyl]pyridine-4-carboxamide
CID 55610557
N-[4-(diethylamino)phenyl]-2-phenylsulfanylpyridine-3-carboxamide
CID 2558813
N-(2-fluorophenyl)-2-phenylsulfanylpyridine-3-carboxamide
CID 26115014
2-phenylsulfanyl-N-quinolin-5-ylpyridine-3-carboxamide
CID 55342888
2-phenylsulfanyl-N-[4-(tetrazol-1-yl)phenyl]pyridine-3-carboxamide
CID 17422807
2-phenylsulfanyl-N-[3-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)phenyl]pyridine-3-carboxamide
CID 55343575
N-(5-methyl-2-pyridinyl)-2-phenylsulfanylpyridine-3-carboxamide
CID 43019366
3-phenylsulfanyl-N-pyridin-4-ylpyrazine-2-carboxamide
CID 154800744

Frequently Asked Questions

What is the IUPAC name of 2-phenylsulfanyl-N-[3-(pyridine-4-carbonylamino)phenyl]pyridine-3-carboxamide?
The IUPAC name of 2-phenylsulfanyl-N-[3-(pyridine-4-carbonylamino)phenyl]pyridine-3-carboxamide (CID 39677967) is 2-phenylsulfanyl-N-[3-(pyridine-4-carbonylamino)phenyl]pyridine-3-carboxamide.
What is the SMILES notation for 2-phenylsulfanyl-N-[3-(pyridine-4-carbonylamino)phenyl]pyridine-3-carboxamide?
The canonical SMILES for 2-phenylsulfanyl-N-[3-(pyridine-4-carbonylamino)phenyl]pyridine-3-carboxamide is O=C(Nc1cccc(NC(=O)c2cccnc2Sc2ccccc2)c1)c1ccncc1.
What is the InChIKey of 2-phenylsulfanyl-N-[3-(pyridine-4-carbonylamino)phenyl]pyridine-3-carboxamide?
The InChIKey is VKMWWQRRQSQEIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18N4O2S/c29-22(17-11-14-25-15-12-17)27-18-6-4-7-19(16-18)28-23(30)21-10-5-13-26-24(21)31-20-8-2-1-3-9-20/h1-16H,(H,27,29)(H,28,30).
What are the key properties of 2-phenylsulfanyl-N-[3-(pyridine-4-carbonylamino)phenyl]pyridine-3-carboxamide?
2-phenylsulfanyl-N-[3-(pyridine-4-carbonylamino)phenyl]pyridine-3-carboxamide has a molecular weight of 426.50 g/mol, XLogP of 5.13, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenylsulfanyl-N-[3-(pyridine-4-carbonylamino)phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 39677967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).