N-(3-chlorophenyl)-2-(1-pyridin-4-ylethylsulfanyl)pyridine-3-carboxamide

C19H16ClN3OS — CID 23093892

IUPACN-(3-chlorophenyl)-2-(1-pyridin-4-ylethylsulfanyl)pyridine-3-carboxamide
SMILESCC(Sc1ncccc1C(=O)Nc1cccc(Cl)c1)c1ccncc1
InChIInChI=1S/C19H16ClN3OS/c1-13(14-7-10-21-11-8-14)25-19-17(6-3-9-22-19)18(24)23-16-5-2-4-15(20)12-16/h2-13H,1H3,(H,23,24)
InChIKeyZXAFFFXLZQBUPW-UHFFFAOYSA-N
MW369.88 g/mol
LogP5.24
Rot. Bonds5

About N-(3-chlorophenyl)-2-(1-pyridin-4-ylethylsulfanyl)pyridine-3-carboxamide

N-(3-chlorophenyl)-2-(1-pyridin-4-ylethylsulfanyl)pyridine-3-carboxamide (PubChem CID 23093892) has the molecular formula C19H16ClN3OS and a molecular weight of 369.88 g/mol. Its IUPAC name is N-(3-chlorophenyl)-2-(1-pyridin-4-ylethylsulfanyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-2-(1-pyridin-4-ylethylsulfanyl)pyridine-3-carboxamide
PubChem CID23093892
Molecular FormulaC19H16ClN3OS
Molecular Weight369.88 g/mol
Exact Mass369.07
IUPAC NameN-(3-chlorophenyl)-2-(1-pyridin-4-ylethylsulfanyl)pyridine-3-carboxamide
SMILESCC(Sc1ncccc1C(=O)Nc1cccc(Cl)c1)c1ccncc1
InChIInChI=1S/C19H16ClN3OS/c1-13(14-7-10-21-11-8-14)25-19-17(6-3-9-22-19)18(24)23-16-5-2-4-15(20)12-16/h2-13H,1H3,(H,23,24)
InChIKeyZXAFFFXLZQBUPW-UHFFFAOYSA-N
XLogP5.24
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.88
LogP ≤ 55.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-chlorophenyl)-2-phenylsulfanylpyridine-3-carboxamide
CID 26086401
2-amino-N-(3-chlorophenyl)pyridine-3-carboxamide
CID 62155044
2-[1-(3-chloroanilino)-1-oxobutan-2-yl]sulfanylpyridine-3-carboxylic acid
CID 4136540
N-(3-propan-2-yloxyphenyl)-2-(pyridin-4-ylmethylsulfanyl)pyridine-3-carboxamide
CID 23093989
3-[1-(3-chlorophenyl)ethenyl]-2-(1-phenylethylsulfanyl)pyridine
CID 101472817
N-(3-chlorophenyl)-2-ethylsulfanylbenzamide
CID 4631179
N-(3-chlorophenyl)-2-[(2-methyl-1-piperidin-4-ylpropyl)amino]pyridine-3-carboxamide
CID 70071023
N-(4-chlorophenyl)-2-[[(2-piperazin-1-ylacetyl)amino]-pyridin-4-ylmethyl]sulfanylpyridine-3-carboxamide
CID 67219049
N-(4-chloro-2-fluorophenyl)-2-(difluoromethylsulfanyl)pyridine-3-carboxamide
CID 78804077
2-(difluoromethylsulfanyl)-N-(3-methylsulfonylphenyl)pyridine-3-carboxamide
CID 134013198
N-(3,5-dimethylphenyl)-2-[[(2-hydroxyacetyl)amino]-pyridin-4-ylmethyl]sulfanylpyridine-3-carboxamide
CID 67219233
4-chloro-N-(3-chlorophenyl)pyridine-3-carboxamide
CID 81225135

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-2-(1-pyridin-4-ylethylsulfanyl)pyridine-3-carboxamide?
The IUPAC name of N-(3-chlorophenyl)-2-(1-pyridin-4-ylethylsulfanyl)pyridine-3-carboxamide (CID 23093892) is N-(3-chlorophenyl)-2-(1-pyridin-4-ylethylsulfanyl)pyridine-3-carboxamide.
What is the SMILES notation for N-(3-chlorophenyl)-2-(1-pyridin-4-ylethylsulfanyl)pyridine-3-carboxamide?
The canonical SMILES for N-(3-chlorophenyl)-2-(1-pyridin-4-ylethylsulfanyl)pyridine-3-carboxamide is CC(Sc1ncccc1C(=O)Nc1cccc(Cl)c1)c1ccncc1.
What is the InChIKey of N-(3-chlorophenyl)-2-(1-pyridin-4-ylethylsulfanyl)pyridine-3-carboxamide?
The InChIKey is ZXAFFFXLZQBUPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClN3OS/c1-13(14-7-10-21-11-8-14)25-19-17(6-3-9-22-19)18(24)23-16-5-2-4-15(20)12-16/h2-13H,1H3,(H,23,24).
What are the key properties of N-(3-chlorophenyl)-2-(1-pyridin-4-ylethylsulfanyl)pyridine-3-carboxamide?
N-(3-chlorophenyl)-2-(1-pyridin-4-ylethylsulfanyl)pyridine-3-carboxamide has a molecular weight of 369.88 g/mol, XLogP of 5.24, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-2-(1-pyridin-4-ylethylsulfanyl)pyridine-3-carboxamide is sourced from PubChem (CID 23093892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).