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

C19H17N3O2S — CID 23093844

IUPACN-(3-methoxyphenyl)-2-(pyridin-4-ylmethylsulfanyl)pyridine-3-carboxamide
SMILESCOc1cccc(NC(=O)c2cccnc2SCc2ccncc2)c1
InChIInChI=1S/C19H17N3O2S/c1-24-16-5-2-4-15(12-16)22-18(23)17-6-3-9-21-19(17)25-13-14-7-10-20-11-8-14/h2-12H,13H2,1H3,(H,22,23)
InChIKeyHIVIANQJRYCXIA-UHFFFAOYSA-N
MW351.43 g/mol
LogP4.03
Rot. Bonds6

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

N-(3-methoxyphenyl)-2-(pyridin-4-ylmethylsulfanyl)pyridine-3-carboxamide (PubChem CID 23093844) has the molecular formula C19H17N3O2S and a molecular weight of 351.43 g/mol. Its IUPAC name is N-(3-methoxyphenyl)-2-(pyridin-4-ylmethylsulfanyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(3-methoxyphenyl)-2-(pyridin-4-ylmethylsulfanyl)pyridine-3-carboxamide
PubChem CID23093844
Molecular FormulaC19H17N3O2S
Molecular Weight351.43 g/mol
Exact Mass351.10
IUPAC NameN-(3-methoxyphenyl)-2-(pyridin-4-ylmethylsulfanyl)pyridine-3-carboxamide
SMILESCOc1cccc(NC(=O)c2cccnc2SCc2ccncc2)c1
InChIInChI=1S/C19H17N3O2S/c1-24-16-5-2-4-15(12-16)22-18(23)17-6-3-9-21-19(17)25-13-14-7-10-20-11-8-14/h2-12H,13H2,1H3,(H,22,23)
InChIKeyHIVIANQJRYCXIA-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-(3-methoxyphenyl)-2-(pyridin-4-ylmethylsulfanyl)pyridine-3-carboxamide?
The IUPAC name of N-(3-methoxyphenyl)-2-(pyridin-4-ylmethylsulfanyl)pyridine-3-carboxamide (CID 23093844) is N-(3-methoxyphenyl)-2-(pyridin-4-ylmethylsulfanyl)pyridine-3-carboxamide.
What is the SMILES notation for N-(3-methoxyphenyl)-2-(pyridin-4-ylmethylsulfanyl)pyridine-3-carboxamide?
The canonical SMILES for N-(3-methoxyphenyl)-2-(pyridin-4-ylmethylsulfanyl)pyridine-3-carboxamide is COc1cccc(NC(=O)c2cccnc2SCc2ccncc2)c1.
What is the InChIKey of N-(3-methoxyphenyl)-2-(pyridin-4-ylmethylsulfanyl)pyridine-3-carboxamide?
The InChIKey is HIVIANQJRYCXIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O2S/c1-24-16-5-2-4-15(12-16)22-18(23)17-6-3-9-21-19(17)25-13-14-7-10-20-11-8-14/h2-12H,13H2,1H3,(H,22,23).
What are the key properties of N-(3-methoxyphenyl)-2-(pyridin-4-ylmethylsulfanyl)pyridine-3-carboxamide?
N-(3-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-(3-methoxyphenyl)-2-(pyridin-4-ylmethylsulfanyl)pyridine-3-carboxamide is sourced from PubChem (CID 23093844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).