5-cyano-4-(furan-2-yl)-2-methyl-6-methylsulfanyl-N-phenylpyridine-3-carboxamide

C19H15N3O2S — CID 671628

IUPAC5-cyano-4-(furan-2-yl)-2-methyl-6-methylsulfanyl-N-phenylpyridine-3-carboxamide
SMILESCSc1nc(C)c(C(=O)Nc2ccccc2)c(-c2ccco2)c1C#N
InChIInChI=1S/C19H15N3O2S/c1-12-16(18(23)22-13-7-4-3-5-8-13)17(15-9-6-10-24-15)14(11-20)19(21-12)25-2/h3-10H,1-2H3,(H,22,23)
InChIKeyQLKLGCRRTODTTR-UHFFFAOYSA-N
MW349.42 g/mol
LogP4.50
Rot. Bonds4

About 5-cyano-4-(furan-2-yl)-2-methyl-6-methylsulfanyl-N-phenylpyridine-3-carboxamide

5-cyano-4-(furan-2-yl)-2-methyl-6-methylsulfanyl-N-phenylpyridine-3-carboxamide (PubChem CID 671628) has the molecular formula C19H15N3O2S and a molecular weight of 349.42 g/mol. Its IUPAC name is 5-cyano-4-(furan-2-yl)-2-methyl-6-methylsulfanyl-N-phenylpyridine-3-carboxamide.

Molecular Properties

Compound Name5-cyano-4-(furan-2-yl)-2-methyl-6-methylsulfanyl-N-phenylpyridine-3-carboxamide
PubChem CID671628
Molecular FormulaC19H15N3O2S
Molecular Weight349.42 g/mol
Exact Mass349.09
IUPAC Name5-cyano-4-(furan-2-yl)-2-methyl-6-methylsulfanyl-N-phenylpyridine-3-carboxamide
SMILESCSc1nc(C)c(C(=O)Nc2ccccc2)c(-c2ccco2)c1C#N
InChIInChI=1S/C19H15N3O2S/c1-12-16(18(23)22-13-7-4-3-5-8-13)17(15-9-6-10-24-15)14(11-20)19(21-12)25-2/h3-10H,1-2H3,(H,22,23)
InChIKeyQLKLGCRRTODTTR-UHFFFAOYSA-N
XLogP4.50
TPSA78.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.42
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-Cyclopropyl-4-(2-furyl)-2-[(2-oxo-2-phenylethyl)thio]nicotinonitrile
CID 571251
3-Amino-4-furan-2-yl-6,7-dihydro-5H-cyclopenta[b]thieno[3,2-e]pyridine-2-carboxylic acid p-tolylamide
CID 1829266
3-Amino-4-(furan-2-yl)-6-phenylthieno[2,3-b]pyridine-2-carboxamide
CID 1391336
6-(Furan-2-yl)-2-methylsulfanyl-4-phenylpyridine-3-carbonitrile
CID 657930
Methyl 2-[3-cyano-4-(furan-2-yl)-6-phenylpyridin-2-yl]sulfanylacetate
CID 658573
6-Tert-butyl-2-[(cyanomethyl)sulfanyl]-4-(furan-2-yl)pyridine-3-carbonitrile
CID 660809
2-Methoxyethyl 5-cyano-4-(furan-2-yl)-2-methyl-6-[2-(4-methylanilino)-2-oxoethyl]sulfanylpyridine-3-carboxylate
CID 661529
5-cyano-4-(furan-2-yl)-N-(furan-2-ylmethyl)-2-methyl-6-[(2-oxo-2-phenylethyl)sulfanyl]pyridine-3-carboxamide
CID 664147
6-Cyclopropyl-2-ethylsulfanyl-4-(furan-2-yl)pyridine-3-carbonitrile
CID 694333
3-Amino-4-furan-2-yl-6,7-dihydro-5H-cyclopenta[b]thieno[3,2-e]pyridine-2-carboxylic acid o-tolylamide
CID 1405158
5-Cyano-4-furan-2-yl-2-methyl-6-(naphthalen-1-ylcarbamoylmethylsulfanyl)-nicotinic acid 2-methoxy-ethyl ester
CID 1861070
3-Amino-4-furan-2-yl-6,7-dihydro-5H-cyclopenta[b]thieno[3,2-e]pyridine-2-carboxylic acid phenylamide
CID 1974623

Frequently Asked Questions

What is the IUPAC name of 5-cyano-4-(furan-2-yl)-2-methyl-6-methylsulfanyl-N-phenylpyridine-3-carboxamide?
The IUPAC name of 5-cyano-4-(furan-2-yl)-2-methyl-6-methylsulfanyl-N-phenylpyridine-3-carboxamide (CID 671628) is 5-cyano-4-(furan-2-yl)-2-methyl-6-methylsulfanyl-N-phenylpyridine-3-carboxamide.
What is the SMILES notation for 5-cyano-4-(furan-2-yl)-2-methyl-6-methylsulfanyl-N-phenylpyridine-3-carboxamide?
The canonical SMILES for 5-cyano-4-(furan-2-yl)-2-methyl-6-methylsulfanyl-N-phenylpyridine-3-carboxamide is CSc1nc(C)c(C(=O)Nc2ccccc2)c(-c2ccco2)c1C#N.
What is the InChIKey of 5-cyano-4-(furan-2-yl)-2-methyl-6-methylsulfanyl-N-phenylpyridine-3-carboxamide?
The InChIKey is QLKLGCRRTODTTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3O2S/c1-12-16(18(23)22-13-7-4-3-5-8-13)17(15-9-6-10-24-15)14(11-20)19(21-12)25-2/h3-10H,1-2H3,(H,22,23).
What are the key properties of 5-cyano-4-(furan-2-yl)-2-methyl-6-methylsulfanyl-N-phenylpyridine-3-carboxamide?
5-cyano-4-(furan-2-yl)-2-methyl-6-methylsulfanyl-N-phenylpyridine-3-carboxamide has a molecular weight of 349.42 g/mol, XLogP of 4.50, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyano-4-(furan-2-yl)-2-methyl-6-methylsulfanyl-N-phenylpyridine-3-carboxamide is sourced from PubChem (CID 671628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).