2-[(3-cyano-6-pyridin-4-yl-2-pyridinyl)sulfanyl]-N-cyclopropylacetamide

C16H14N4OS — CID 671711

IUPAC2-[(3-cyano-6-pyridin-4-yl-2-pyridinyl)sulfanyl]-N-cyclopropylacetamide
SMILESN#Cc1ccc(-c2ccncc2)nc1SCC(=O)NC1CC1
InChIInChI=1S/C16H14N4OS/c17-9-12-1-4-14(11-5-7-18-8-6-11)20-16(12)22-10-15(21)19-13-2-3-13/h1,4-8,13H,2-3,10H2,(H,19,21)
InChIKeyVFBAJTJKADKOAS-UHFFFAOYSA-N
MW310.38 g/mol
LogP2.39
Rot. Bonds5

About 2-[(3-cyano-6-pyridin-4-yl-2-pyridinyl)sulfanyl]-N-cyclopropylacetamide

2-[(3-cyano-6-pyridin-4-yl-2-pyridinyl)sulfanyl]-N-cyclopropylacetamide (PubChem CID 671711) has the molecular formula C16H14N4OS and a molecular weight of 310.38 g/mol. Its IUPAC name is 2-[(3-cyano-6-pyridin-4-yl-2-pyridinyl)sulfanyl]-N-cyclopropylacetamide.

Molecular Properties

Compound Name2-[(3-cyano-6-pyridin-4-yl-2-pyridinyl)sulfanyl]-N-cyclopropylacetamide
PubChem CID671711
Molecular FormulaC16H14N4OS
Molecular Weight310.38 g/mol
Exact Mass310.09
IUPAC Name2-[(3-cyano-6-pyridin-4-yl-2-pyridinyl)sulfanyl]-N-cyclopropylacetamide
SMILESN#Cc1ccc(-c2ccncc2)nc1SCC(=O)NC1CC1
InChIInChI=1S/C16H14N4OS/c17-9-12-1-4-14(11-5-7-18-8-6-11)20-16(12)22-10-15(21)19-13-2-3-13/h1,4-8,13H,2-3,10H2,(H,19,21)
InChIKeyVFBAJTJKADKOAS-UHFFFAOYSA-N
XLogP2.39
TPSA78.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.38
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-Cyano-quinolin-2-ylsulfanyl)-N-cyclopropyl-acetamide
CID 1433832
N-(4-phenylbutan-2-yl)-2-pyridin-2-ylsulfanylacetamide
CID 5060029
N-(1-cyanocyclohexyl)-2-pyridin-2-ylsulfanylacetamide
CID 8813525
2-(3-Cyano-6-pyridin-3-ylpyridin-2-yl)sulfanylacetamide
CID 2046490
2-{[3-Cyano-4-(pyridin-4-yl)-5,6,7,8-tetrahydroquinolin-2-yl]sulfanyl}acetamide
CID 767653
4-[(3,5-dicyano-4-phenyl-2-pyridinyl)sulfanylmethyl]-N-methylpyridine-2-carboxamide
CID 68614454
2-(Pyridin-3-ylmethylsulfanyl)-5,6,7,8-tetrahydro-quinoline-3-carbonitrile
CID 648350
Ethyl 2-(3-cyano-6-pyridin-4-ylpyridin-2-yl)sulfanylacetate
CID 657961
6-Ethyl-5-methyl-2-[(pyridin-3-ylmethyl)sulfanyl]nicotinonitrile
CID 660204
N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-(3-cyano-6-pyridin-3-ylpyridin-2-yl)sulfanylacetamide
CID 660795
6-Ethylsulfanyl-[2,3']bipyridinyl-5-carbonitrile
CID 912276
2-[(3-cyano-4-phenyl-6-thiophen-2-yl-2-pyridinyl)thio]-N-propan-2-ylacetamide
CID 1002423

Frequently Asked Questions

What is the IUPAC name of 2-[(3-cyano-6-pyridin-4-yl-2-pyridinyl)sulfanyl]-N-cyclopropylacetamide?
The IUPAC name of 2-[(3-cyano-6-pyridin-4-yl-2-pyridinyl)sulfanyl]-N-cyclopropylacetamide (CID 671711) is 2-[(3-cyano-6-pyridin-4-yl-2-pyridinyl)sulfanyl]-N-cyclopropylacetamide.
What is the SMILES notation for 2-[(3-cyano-6-pyridin-4-yl-2-pyridinyl)sulfanyl]-N-cyclopropylacetamide?
The canonical SMILES for 2-[(3-cyano-6-pyridin-4-yl-2-pyridinyl)sulfanyl]-N-cyclopropylacetamide is N#Cc1ccc(-c2ccncc2)nc1SCC(=O)NC1CC1.
What is the InChIKey of 2-[(3-cyano-6-pyridin-4-yl-2-pyridinyl)sulfanyl]-N-cyclopropylacetamide?
The InChIKey is VFBAJTJKADKOAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4OS/c17-9-12-1-4-14(11-5-7-18-8-6-11)20-16(12)22-10-15(21)19-13-2-3-13/h1,4-8,13H,2-3,10H2,(H,19,21).
What are the key properties of 2-[(3-cyano-6-pyridin-4-yl-2-pyridinyl)sulfanyl]-N-cyclopropylacetamide?
2-[(3-cyano-6-pyridin-4-yl-2-pyridinyl)sulfanyl]-N-cyclopropylacetamide has a molecular weight of 310.38 g/mol, XLogP of 2.39, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-cyano-6-pyridin-4-yl-2-pyridinyl)sulfanyl]-N-cyclopropylacetamide is sourced from PubChem (CID 671711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).