N-(3-methylphenyl)-2-(pyridin-4-ylmethylsulfanyl)pyridine-3-carboxamide

C19H17N3OS — CID 10337042

IUPACN-(3-methylphenyl)-2-(pyridin-4-ylmethylsulfanyl)pyridine-3-carboxamide
SMILESCc1cccc(NC(=O)c2cccnc2SCc2ccncc2)c1
InChIInChI=1S/C19H17N3OS/c1-14-4-2-5-16(12-14)22-18(23)17-6-3-9-21-19(17)24-13-15-7-10-20-11-8-15/h2-12H,13H2,1H3,(H,22,23)
InChIKeyPWCWMWJMHJDPHK-UHFFFAOYSA-N
MW335.43 g/mol
LogP4.33
Rot. Bonds5

About N-(3-methylphenyl)-2-(pyridin-4-ylmethylsulfanyl)pyridine-3-carboxamide

N-(3-methylphenyl)-2-(pyridin-4-ylmethylsulfanyl)pyridine-3-carboxamide (PubChem CID 10337042) has the molecular formula C19H17N3OS and a molecular weight of 335.43 g/mol. Its IUPAC name is N-(3-methylphenyl)-2-(pyridin-4-ylmethylsulfanyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(3-methylphenyl)-2-(pyridin-4-ylmethylsulfanyl)pyridine-3-carboxamide
PubChem CID10337042
Molecular FormulaC19H17N3OS
Molecular Weight335.43 g/mol
Exact Mass335.11
IUPAC NameN-(3-methylphenyl)-2-(pyridin-4-ylmethylsulfanyl)pyridine-3-carboxamide
SMILESCc1cccc(NC(=O)c2cccnc2SCc2ccncc2)c1
InChIInChI=1S/C19H17N3OS/c1-14-4-2-5-16(12-14)22-18(23)17-6-3-9-21-19(17)24-13-15-7-10-20-11-8-15/h2-12H,13H2,1H3,(H,22,23)
InChIKeyPWCWMWJMHJDPHK-UHFFFAOYSA-N
XLogP4.33
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.43
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-methylphenyl)-2-(pyridin-4-ylmethylsulfanyl)pyridine-3-carboxamide?
The IUPAC name of N-(3-methylphenyl)-2-(pyridin-4-ylmethylsulfanyl)pyridine-3-carboxamide (CID 10337042) is N-(3-methylphenyl)-2-(pyridin-4-ylmethylsulfanyl)pyridine-3-carboxamide.
What is the SMILES notation for N-(3-methylphenyl)-2-(pyridin-4-ylmethylsulfanyl)pyridine-3-carboxamide?
The canonical SMILES for N-(3-methylphenyl)-2-(pyridin-4-ylmethylsulfanyl)pyridine-3-carboxamide is Cc1cccc(NC(=O)c2cccnc2SCc2ccncc2)c1.
What is the InChIKey of N-(3-methylphenyl)-2-(pyridin-4-ylmethylsulfanyl)pyridine-3-carboxamide?
The InChIKey is PWCWMWJMHJDPHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3OS/c1-14-4-2-5-16(12-14)22-18(23)17-6-3-9-21-19(17)24-13-15-7-10-20-11-8-15/h2-12H,13H2,1H3,(H,22,23).
What are the key properties of N-(3-methylphenyl)-2-(pyridin-4-ylmethylsulfanyl)pyridine-3-carboxamide?
N-(3-methylphenyl)-2-(pyridin-4-ylmethylsulfanyl)pyridine-3-carboxamide has a molecular weight of 335.43 g/mol, XLogP of 4.33, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylphenyl)-2-(pyridin-4-ylmethylsulfanyl)pyridine-3-carboxamide is sourced from PubChem (CID 10337042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).