N-(4-chlorophenyl)-2-(quinolin-6-ylmethylsulfanyl)pyridine-3-carboxamide

C22H16ClN3OS — CID 11847040

IUPACN-(4-chlorophenyl)-2-(quinolin-6-ylmethylsulfanyl)pyridine-3-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1)c1cccnc1SCc1ccc2ncccc2c1
InChIInChI=1S/C22H16ClN3OS/c23-17-6-8-18(9-7-17)26-21(27)19-4-2-12-25-22(19)28-14-15-5-10-20-16(13-15)3-1-11-24-20/h1-13H,14H2,(H,26,27)
InChIKeyBVEIWPMELWHIBP-UHFFFAOYSA-N
MW405.91 g/mol
LogP5.83
Rot. Bonds5

About N-(4-chlorophenyl)-2-(quinolin-6-ylmethylsulfanyl)pyridine-3-carboxamide

N-(4-chlorophenyl)-2-(quinolin-6-ylmethylsulfanyl)pyridine-3-carboxamide (PubChem CID 11847040) has the molecular formula C22H16ClN3OS and a molecular weight of 405.91 g/mol. Its IUPAC name is N-(4-chlorophenyl)-2-(quinolin-6-ylmethylsulfanyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-2-(quinolin-6-ylmethylsulfanyl)pyridine-3-carboxamide
PubChem CID11847040
Molecular FormulaC22H16ClN3OS
Molecular Weight405.91 g/mol
Exact Mass405.07
IUPAC NameN-(4-chlorophenyl)-2-(quinolin-6-ylmethylsulfanyl)pyridine-3-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1)c1cccnc1SCc1ccc2ncccc2c1
InChIInChI=1S/C22H16ClN3OS/c23-17-6-8-18(9-7-17)26-21(27)19-4-2-12-25-22(19)28-14-15-5-10-20-16(13-15)3-1-11-24-20/h1-13H,14H2,(H,26,27)
InChIKeyBVEIWPMELWHIBP-UHFFFAOYSA-N
XLogP5.83
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.91
LogP ≤ 55.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[2-[(2-aminoacetyl)amino]-4-pyridinyl]methylsulfanyl]-N-(4-chlorophenyl)pyridine-3-carboxamide
CID 23151116
N-(4-chlorophenyl)-2-[[2-[[2-(dimethylamino)acetyl]amino]-4-pyridinyl]methylsulfanyl]pyridine-3-carboxamide
CID 23150982
N-(4-chlorophenyl)-6-fluoroquinoline-7-carboxamide
CID 142343829
N-(4-chlorophenyl)-2-[[2-[[2-(4-methylpiperazin-1-yl)acetyl]amino]-4-pyridinyl]methylsulfanyl]pyridine-3-carboxamide
CID 23151074
2-(pyridin-4-ylmethylsulfanyl)-N-quinolin-6-ylbenzamide
CID 23093954
N-(6-chloro-1,3-benzothiazol-2-yl)-2-(pyridin-4-ylmethylsulfanyl)pyridine-3-carboxamide
CID 23093729
4-chloro-2-hydroxy-N-quinolin-6-ylbenzamide
CID 60783622
2-[(2-amino-4-pyridinyl)methylsulfanyl]-N-(4-chlorophenyl)benzamide
CID 11164561
2-benzylsulfanyl-N-(4-nitrophenyl)pyridine-3-carboxamide
CID 10406534
N-(4-hydroxyphenyl)-2-(quinolin-4-ylmethylsulfanyl)pyridine-3-carboxamide
CID 11846554
2-[[2-(4-acetylpiperazin-1-yl)pyrimidin-4-yl]methylsulfanyl]-N-(4-chlorophenyl)pyridine-3-carboxamide
CID 67159986
2-ethylsulfanyl-N-quinolin-6-ylbenzamide
CID 166190376

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-2-(quinolin-6-ylmethylsulfanyl)pyridine-3-carboxamide?
The IUPAC name of N-(4-chlorophenyl)-2-(quinolin-6-ylmethylsulfanyl)pyridine-3-carboxamide (CID 11847040) is N-(4-chlorophenyl)-2-(quinolin-6-ylmethylsulfanyl)pyridine-3-carboxamide.
What is the SMILES notation for N-(4-chlorophenyl)-2-(quinolin-6-ylmethylsulfanyl)pyridine-3-carboxamide?
The canonical SMILES for N-(4-chlorophenyl)-2-(quinolin-6-ylmethylsulfanyl)pyridine-3-carboxamide is O=C(Nc1ccc(Cl)cc1)c1cccnc1SCc1ccc2ncccc2c1.
What is the InChIKey of N-(4-chlorophenyl)-2-(quinolin-6-ylmethylsulfanyl)pyridine-3-carboxamide?
The InChIKey is BVEIWPMELWHIBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16ClN3OS/c23-17-6-8-18(9-7-17)26-21(27)19-4-2-12-25-22(19)28-14-15-5-10-20-16(13-15)3-1-11-24-20/h1-13H,14H2,(H,26,27).
What are the key properties of N-(4-chlorophenyl)-2-(quinolin-6-ylmethylsulfanyl)pyridine-3-carboxamide?
N-(4-chlorophenyl)-2-(quinolin-6-ylmethylsulfanyl)pyridine-3-carboxamide has a molecular weight of 405.91 g/mol, XLogP of 5.83, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-2-(quinolin-6-ylmethylsulfanyl)pyridine-3-carboxamide is sourced from PubChem (CID 11847040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).