N-methyl-2-phenylsulfanyl-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide

C19H17N3OS — CID 78770888

IUPACN-methyl-2-phenylsulfanyl-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide
SMILESCN(Cc1cccnc1)C(=O)c1cccnc1Sc1ccccc1
InChIInChI=1S/C19H17N3OS/c1-22(14-15-7-5-11-20-13-15)19(23)17-10-6-12-21-18(17)24-16-8-3-2-4-9-16/h2-13H,14H2,1H3
InChIKeyOKTCONPEBQVCGZ-UHFFFAOYSA-N
MW335.43 g/mol
LogP3.90
Rot. Bonds5

About N-methyl-2-phenylsulfanyl-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide

N-methyl-2-phenylsulfanyl-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide (PubChem CID 78770888) has the molecular formula C19H17N3OS and a molecular weight of 335.43 g/mol. Its IUPAC name is N-methyl-2-phenylsulfanyl-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-methyl-2-phenylsulfanyl-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide
PubChem CID78770888
Molecular FormulaC19H17N3OS
Molecular Weight335.43 g/mol
Exact Mass335.11
IUPAC NameN-methyl-2-phenylsulfanyl-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide
SMILESCN(Cc1cccnc1)C(=O)c1cccnc1Sc1ccccc1
InChIInChI=1S/C19H17N3OS/c1-22(14-15-7-5-11-20-13-15)19(23)17-10-6-12-21-18(17)24-16-8-3-2-4-9-16/h2-13H,14H2,1H3
InChIKeyOKTCONPEBQVCGZ-UHFFFAOYSA-N
XLogP3.90
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.43
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3,4-dimethoxyphenyl)methyl]-N-methyl-2-phenylsulfanylpyridine-3-carboxamide
CID 18160430
N-(furan-2-ylmethyl)-N-methyl-2-phenylsulfanylpyridine-3-carboxamide
CID 18160453
2-iodo-N-methyl-N-(pyridin-3-ylmethyl)benzamide
CID 47097163
2-[(4-carbamoylphenyl)methylsulfanyl]-N-methyl-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide
CID 86845531
N-methyl-N-(pyridin-3-ylmethyl)quinoline-8-carboxamide
CID 39948382
N-[(2,4-difluorophenyl)methyl]-N-methyl-2-phenylsulfanylpyridine-3-carboxamide
CID 24660756
2-hydrazinyl-N-methyl-N-(pyridin-3-ylmethyl)benzamide
CID 62243618
N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-N-methyl-2-phenylsulfanylpyridine-3-carboxamide
CID 18153483
3-fluoro-N-methyl-N-(pyridin-3-ylmethyl)pyridine-4-carboxamide
CID 113240917
2-bromo-N,3-dimethyl-N-(pyridin-3-ylmethyl)benzamide
CID 103852811
N-benzyl-2-bromo-N-methylpyridine-3-carboxamide
CID 103751706
N-methyl-N-(pyridin-3-ylmethyl)-2-[4-(trifluoromethyl)phenyl]benzamide
CID 78770926

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-phenylsulfanyl-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide?
The IUPAC name of N-methyl-2-phenylsulfanyl-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide (CID 78770888) is N-methyl-2-phenylsulfanyl-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide.
What is the SMILES notation for N-methyl-2-phenylsulfanyl-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide?
The canonical SMILES for N-methyl-2-phenylsulfanyl-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide is CN(Cc1cccnc1)C(=O)c1cccnc1Sc1ccccc1.
What is the InChIKey of N-methyl-2-phenylsulfanyl-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide?
The InChIKey is OKTCONPEBQVCGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3OS/c1-22(14-15-7-5-11-20-13-15)19(23)17-10-6-12-21-18(17)24-16-8-3-2-4-9-16/h2-13H,14H2,1H3.
What are the key properties of N-methyl-2-phenylsulfanyl-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide?
N-methyl-2-phenylsulfanyl-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide has a molecular weight of 335.43 g/mol, XLogP of 3.90, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-phenylsulfanyl-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide is sourced from PubChem (CID 78770888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).