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

C19H17N3O2S — CID 23093961

IUPACN-(4-methoxyphenyl)-2-(pyridin-4-ylmethylsulfanyl)pyridine-3-carboxamide
SMILESCOc1ccc(NC(=O)c2cccnc2SCc2ccncc2)cc1
InChIInChI=1S/C19H17N3O2S/c1-24-16-6-4-15(5-7-16)22-18(23)17-3-2-10-21-19(17)25-13-14-8-11-20-12-9-14/h2-12H,13H2,1H3,(H,22,23)
InChIKeyBQRVWMTZWYGHJI-UHFFFAOYSA-N
MW351.43 g/mol
LogP4.03
Rot. Bonds6

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

N-(4-methoxyphenyl)-2-(pyridin-4-ylmethylsulfanyl)pyridine-3-carboxamide (PubChem CID 23093961) has the molecular formula C19H17N3O2S and a molecular weight of 351.43 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-2-(pyridin-4-ylmethylsulfanyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-2-(pyridin-4-ylmethylsulfanyl)pyridine-3-carboxamide
PubChem CID23093961
Molecular FormulaC19H17N3O2S
Molecular Weight351.43 g/mol
Exact Mass351.10
IUPAC NameN-(4-methoxyphenyl)-2-(pyridin-4-ylmethylsulfanyl)pyridine-3-carboxamide
SMILESCOc1ccc(NC(=O)c2cccnc2SCc2ccncc2)cc1
InChIInChI=1S/C19H17N3O2S/c1-24-16-6-4-15(5-7-16)22-18(23)17-3-2-10-21-19(17)25-13-14-8-11-20-12-9-14/h2-12H,13H2,1H3,(H,22,23)
InChIKeyBQRVWMTZWYGHJI-UHFFFAOYSA-N
XLogP4.03
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.43
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-2-(pyridin-4-ylmethylsulfanyl)pyridine-3-carboxamide?
The IUPAC name of N-(4-methoxyphenyl)-2-(pyridin-4-ylmethylsulfanyl)pyridine-3-carboxamide (CID 23093961) is N-(4-methoxyphenyl)-2-(pyridin-4-ylmethylsulfanyl)pyridine-3-carboxamide.
What is the SMILES notation for N-(4-methoxyphenyl)-2-(pyridin-4-ylmethylsulfanyl)pyridine-3-carboxamide?
The canonical SMILES for N-(4-methoxyphenyl)-2-(pyridin-4-ylmethylsulfanyl)pyridine-3-carboxamide is COc1ccc(NC(=O)c2cccnc2SCc2ccncc2)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-2-(pyridin-4-ylmethylsulfanyl)pyridine-3-carboxamide?
The InChIKey is BQRVWMTZWYGHJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O2S/c1-24-16-6-4-15(5-7-16)22-18(23)17-3-2-10-21-19(17)25-13-14-8-11-20-12-9-14/h2-12H,13H2,1H3,(H,22,23).
What are the key properties of N-(4-methoxyphenyl)-2-(pyridin-4-ylmethylsulfanyl)pyridine-3-carboxamide?
N-(4-methoxyphenyl)-2-(pyridin-4-ylmethylsulfanyl)pyridine-3-carboxamide has a molecular weight of 351.43 g/mol, XLogP of 4.03, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-2-(pyridin-4-ylmethylsulfanyl)pyridine-3-carboxamide is sourced from PubChem (CID 23093961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).