2-benzhydrylsulfanyl-N-(2-methylquinolin-8-yl)pyridine-3-carboxamide

C29H23N3OS — CID 10551972

IUPAC2-benzhydrylsulfanyl-N-(2-methylquinolin-8-yl)pyridine-3-carboxamide
SMILESCc1ccc2cccc(NC(=O)c3cccnc3SC(c3ccccc3)c3ccccc3)c2n1
InChIInChI=1S/C29H23N3OS/c1-20-17-18-21-14-8-16-25(26(21)31-20)32-28(33)24-15-9-19-30-29(24)34-27(22-10-4-2-5-11-22)23-12-6-3-7-13-23/h2-19,27H,1H3,(H,32,33)
InChIKeyYJQADIJRFLUOCZ-UHFFFAOYSA-N
MW461.59 g/mol
LogP7.07
Rot. Bonds6

About 2-benzhydrylsulfanyl-N-(2-methylquinolin-8-yl)pyridine-3-carboxamide

2-benzhydrylsulfanyl-N-(2-methylquinolin-8-yl)pyridine-3-carboxamide (PubChem CID 10551972) has the molecular formula C29H23N3OS and a molecular weight of 461.59 g/mol. Its IUPAC name is 2-benzhydrylsulfanyl-N-(2-methylquinolin-8-yl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-benzhydrylsulfanyl-N-(2-methylquinolin-8-yl)pyridine-3-carboxamide
PubChem CID10551972
Molecular FormulaC29H23N3OS
Molecular Weight461.59 g/mol
Exact Mass461.16
IUPAC Name2-benzhydrylsulfanyl-N-(2-methylquinolin-8-yl)pyridine-3-carboxamide
SMILESCc1ccc2cccc(NC(=O)c3cccnc3SC(c3ccccc3)c3ccccc3)c2n1
InChIInChI=1S/C29H23N3OS/c1-20-17-18-21-14-8-16-25(26(21)31-20)32-28(33)24-15-9-19-30-29(24)34-27(22-10-4-2-5-11-22)23-12-6-3-7-13-23/h2-19,27H,1H3,(H,32,33)
InChIKeyYJQADIJRFLUOCZ-UHFFFAOYSA-N
XLogP7.07
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500461.59
LogP ≤ 57.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-hydroxy-N-(2-methylquinolin-8-yl)benzamide
CID 62954992
3-hydroxy-N-(2-methylquinolin-8-yl)pyridine-4-carboxamide
CID 81440113
2-methylsulfanyl-N-[2-[[(1S)-1-phenylethyl]carbamoyl]phenyl]pyridine-3-carboxamide
CID 25486041
N-(2-methylquinolin-8-yl)pyrene-1-carboxamide
CID 168859940
2-[(2-methylquinolin-8-yl)amino]benzoic acid
CID 63538689
3-chloro-N-(2-methylquinolin-8-yl)pyridine-4-carboxamide
CID 66482984
N-(2-methylquinolin-8-yl)-3-phenylbenzamide
CID 171473806
5-bromo-2,3,4-trimethyl-N-(2-methylquinolin-8-yl)benzamide
CID 23833429
N-(2,6-dimethylphenyl)-2-methylquinoline-8-carboxamide
CID 130298179
3-[(2-methylquinolin-8-yl)amino]-3-oxopropanoic acid
CID 62953963
N-(2,3-dimethylphenyl)quinoline-8-carboxamide
CID 30267815
6-amino-N-(2-methylquinolin-8-yl)pyridine-3-carboxamide
CID 62953787

Frequently Asked Questions

What is the IUPAC name of 2-benzhydrylsulfanyl-N-(2-methylquinolin-8-yl)pyridine-3-carboxamide?
The IUPAC name of 2-benzhydrylsulfanyl-N-(2-methylquinolin-8-yl)pyridine-3-carboxamide (CID 10551972) is 2-benzhydrylsulfanyl-N-(2-methylquinolin-8-yl)pyridine-3-carboxamide.
What is the SMILES notation for 2-benzhydrylsulfanyl-N-(2-methylquinolin-8-yl)pyridine-3-carboxamide?
The canonical SMILES for 2-benzhydrylsulfanyl-N-(2-methylquinolin-8-yl)pyridine-3-carboxamide is Cc1ccc2cccc(NC(=O)c3cccnc3SC(c3ccccc3)c3ccccc3)c2n1.
What is the InChIKey of 2-benzhydrylsulfanyl-N-(2-methylquinolin-8-yl)pyridine-3-carboxamide?
The InChIKey is YJQADIJRFLUOCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H23N3OS/c1-20-17-18-21-14-8-16-25(26(21)31-20)32-28(33)24-15-9-19-30-29(24)34-27(22-10-4-2-5-11-22)23-12-6-3-7-13-23/h2-19,27H,1H3,(H,32,33).
What are the key properties of 2-benzhydrylsulfanyl-N-(2-methylquinolin-8-yl)pyridine-3-carboxamide?
2-benzhydrylsulfanyl-N-(2-methylquinolin-8-yl)pyridine-3-carboxamide has a molecular weight of 461.59 g/mol, XLogP of 7.07, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzhydrylsulfanyl-N-(2-methylquinolin-8-yl)pyridine-3-carboxamide is sourced from PubChem (CID 10551972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).