N-(3-chloro-4-fluorophenyl)-3-cyano-6-cyclopropyl-2-methylsulfanylpyridine-4-carboxamide

C17H13ClFN3OS — CID 34365800

IUPACN-(3-chloro-4-fluorophenyl)-3-cyano-6-cyclopropyl-2-methylsulfanylpyridine-4-carboxamide
SMILESCSc1nc(C2CC2)cc(C(=O)Nc2ccc(F)c(Cl)c2)c1C#N
InChIInChI=1S/C17H13ClFN3OS/c1-24-17-12(8-20)11(7-15(22-17)9-2-3-9)16(23)21-10-4-5-14(19)13(18)6-10/h4-7,9H,2-3H2,1H3,(H,21,23)
InChIKeyWIKOPLRFCOEKBE-UHFFFAOYSA-N
MW361.83 g/mol
LogP4.60
Rot. Bonds4

About N-(3-chloro-4-fluorophenyl)-3-cyano-6-cyclopropyl-2-methylsulfanylpyridine-4-carboxamide

N-(3-chloro-4-fluorophenyl)-3-cyano-6-cyclopropyl-2-methylsulfanylpyridine-4-carboxamide (PubChem CID 34365800) has the molecular formula C17H13ClFN3OS and a molecular weight of 361.83 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)-3-cyano-6-cyclopropyl-2-methylsulfanylpyridine-4-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-4-fluorophenyl)-3-cyano-6-cyclopropyl-2-methylsulfanylpyridine-4-carboxamide
PubChem CID34365800
Molecular FormulaC17H13ClFN3OS
Molecular Weight361.83 g/mol
Exact Mass361.05
IUPAC NameN-(3-chloro-4-fluorophenyl)-3-cyano-6-cyclopropyl-2-methylsulfanylpyridine-4-carboxamide
SMILESCSc1nc(C2CC2)cc(C(=O)Nc2ccc(F)c(Cl)c2)c1C#N
InChIInChI=1S/C17H13ClFN3OS/c1-24-17-12(8-20)11(7-15(22-17)9-2-3-9)16(23)21-10-4-5-14(19)13(18)6-10/h4-7,9H,2-3H2,1H3,(H,21,23)
InChIKeyWIKOPLRFCOEKBE-UHFFFAOYSA-N
XLogP4.60
TPSA65.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.83
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-[(1S,2S)-5'-chloro-2'-oxo-spiro[cyclopropane-2,3'-indoline]-1-yl]-2-methylsulfanyl-pyridine-3-carbonitrile
CID 15956389
2-{[2-(4-Chlorophenyl)-2-oxoethyl]sulfanyl}-6-methyl-4-(trifluoromethyl)pyridine-3-carbonitrile
CID 1039996
6-[(2-amino-2-oxoethyl)sulfanyl]-4-(4-chlorophenyl)-5-cyano-2-methyl-N-(2-methylphenyl)pyridine-3-carboxamide
CID 1929462
N-(3-acetylphenyl)-4-{[3-cyano-6-methyl-4-(trifluoromethyl)pyridin-2-yl]sulfanyl}butanamide
CID 16422967
2-{[2-(4-Chlorophenyl)-2-oxoethyl]sulfanyl}-6-cyclopropyl-4-(trifluoromethyl)nicotinonitrile
CID 2216829
(3-cyano-4,6-dimethyl-2-pyridinyl) N-(4-chlorobenzoyl)carbamodithioate
CID 3950354
2-{[2-(4-Chlorophenyl)-2-oxoethyl]sulfanyl}-4-methyl-6-(trifluoromethyl)pyridine-3-carbonitrile
CID 1240210
2-[(5-chloro-3-cyano-4,6-dimethylpyridin-2-yl)sulfanyl]-N-(4-fluorophenyl)acetamide
CID 1502243
N-[3-(2-amino-4-methyl-5,6-dihydro-1,3-thiazin-4-yl)-4-fluorophenyl]-2-chloro-6-methylpyridine-4-carboxamide
CID 59250537
N-(3-chloro-4-fluorophenyl)-3,4,6-trimethylthieno[2,3-b]pyridine-2-carboxamide
CID 140720606
N-(3-chloro-4-fluorophenyl)-3-[(3-cyano-6-cyclopropyl-2-pyridinyl)sulfanyl]propanamide
CID 175215309
2-(3-Chloro-4-fluorophenyl)-3-[(3-cyano-6-cyclopropyl-2-pyridinyl)sulfanyl]propanamide
CID 175696730

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-fluorophenyl)-3-cyano-6-cyclopropyl-2-methylsulfanylpyridine-4-carboxamide?
The IUPAC name of N-(3-chloro-4-fluorophenyl)-3-cyano-6-cyclopropyl-2-methylsulfanylpyridine-4-carboxamide (CID 34365800) is N-(3-chloro-4-fluorophenyl)-3-cyano-6-cyclopropyl-2-methylsulfanylpyridine-4-carboxamide.
What is the SMILES notation for N-(3-chloro-4-fluorophenyl)-3-cyano-6-cyclopropyl-2-methylsulfanylpyridine-4-carboxamide?
The canonical SMILES for N-(3-chloro-4-fluorophenyl)-3-cyano-6-cyclopropyl-2-methylsulfanylpyridine-4-carboxamide is CSc1nc(C2CC2)cc(C(=O)Nc2ccc(F)c(Cl)c2)c1C#N.
What is the InChIKey of N-(3-chloro-4-fluorophenyl)-3-cyano-6-cyclopropyl-2-methylsulfanylpyridine-4-carboxamide?
The InChIKey is WIKOPLRFCOEKBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClFN3OS/c1-24-17-12(8-20)11(7-15(22-17)9-2-3-9)16(23)21-10-4-5-14(19)13(18)6-10/h4-7,9H,2-3H2,1H3,(H,21,23).
What are the key properties of N-(3-chloro-4-fluorophenyl)-3-cyano-6-cyclopropyl-2-methylsulfanylpyridine-4-carboxamide?
N-(3-chloro-4-fluorophenyl)-3-cyano-6-cyclopropyl-2-methylsulfanylpyridine-4-carboxamide has a molecular weight of 361.83 g/mol, XLogP of 4.60, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-fluorophenyl)-3-cyano-6-cyclopropyl-2-methylsulfanylpyridine-4-carboxamide is sourced from PubChem (CID 34365800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).