3-(3-cyanoanilino)-N-(5-fluoro-6-methyl-2-pyridinyl)-6-methylpyridine-2-carboxamide

C20H16FN5O — CID 86607585

IUPAC3-(3-cyanoanilino)-N-(5-fluoro-6-methyl-2-pyridinyl)-6-methylpyridine-2-carboxamide
SMILESCc1ccc(Nc2cccc(C#N)c2)c(C(=O)Nc2ccc(F)c(C)n2)n1
InChIInChI=1S/C20H16FN5O/c1-12-6-8-17(25-15-5-3-4-14(10-15)11-22)19(23-12)20(27)26-18-9-7-16(21)13(2)24-18/h3-10,25H,1-2H3,(H,24,26,27)
InChIKeyIUHSWQFQEVZFQQ-UHFFFAOYSA-N
MW361.38 g/mol
LogP4.10
Rot. Bonds4

About 3-(3-cyanoanilino)-N-(5-fluoro-6-methyl-2-pyridinyl)-6-methylpyridine-2-carboxamide

3-(3-cyanoanilino)-N-(5-fluoro-6-methyl-2-pyridinyl)-6-methylpyridine-2-carboxamide (PubChem CID 86607585) has the molecular formula C20H16FN5O and a molecular weight of 361.38 g/mol. Its IUPAC name is 3-(3-cyanoanilino)-N-(5-fluoro-6-methyl-2-pyridinyl)-6-methylpyridine-2-carboxamide.

Molecular Properties

Compound Name3-(3-cyanoanilino)-N-(5-fluoro-6-methyl-2-pyridinyl)-6-methylpyridine-2-carboxamide
PubChem CID86607585
Molecular FormulaC20H16FN5O
Molecular Weight361.38 g/mol
Exact Mass361.13
IUPAC Name3-(3-cyanoanilino)-N-(5-fluoro-6-methyl-2-pyridinyl)-6-methylpyridine-2-carboxamide
SMILESCc1ccc(Nc2cccc(C#N)c2)c(C(=O)Nc2ccc(F)c(C)n2)n1
InChIInChI=1S/C20H16FN5O/c1-12-6-8-17(25-15-5-3-4-14(10-15)11-22)19(23-12)20(27)26-18-9-7-16(21)13(2)24-18/h3-10,25H,1-2H3,(H,24,26,27)
InChIKeyIUHSWQFQEVZFQQ-UHFFFAOYSA-N
XLogP4.10
TPSA90.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.38
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(3-cyanoanilino)-6-methylpyridine-2-carboxylic acid
CID 69235478
N-(3-cyanophenyl)-2,6-dimethylpyridine-3-carboxamide
CID 47300067
2-(3-cyanoanilino)-N-(2,6-difluorophenyl)-6-methylpyrimidine-4-carboxamide
CID 109338197
2-(3-chloro-4-fluoroanilino)-N-(3-cyanophenyl)-6-methylpyrimidine-4-carboxamide
CID 109337349
6-(4-chloro-2-methylanilino)-N-(3-cyanophenyl)-2-methylpyrimidine-4-carboxamide
CID 112850277
2-amino-6-(3-cyanoanilino)-3-fluorobenzoic acid
CID 83215886
N-(3-cyanophenyl)-2-[(4,6-dimethylpyrimidin-2-yl)amino]benzamide
CID 100779207
6-(3-cyanoanilino)-N-(4-fluorophenyl)-2-methylpyrimidine-4-carboxamide
CID 112849978
N-(3-cyanophenyl)-6-(2-fluoroanilino)pyridazine-3-carboxamide
CID 109128393
6-(3-cyanoanilino)-N-(4-fluorophenyl)pyridazine-3-carboxamide
CID 109128566
N-(3-cyanophenyl)-6-(2,6-difluoroanilino)pyridazine-3-carboxamide
CID 109130379
N-(3-cyanophenyl)-6-(3,4-difluoroanilino)pyridine-3-carboxamide
CID 109165005

Frequently Asked Questions

What is the IUPAC name of 3-(3-cyanoanilino)-N-(5-fluoro-6-methyl-2-pyridinyl)-6-methylpyridine-2-carboxamide?
The IUPAC name of 3-(3-cyanoanilino)-N-(5-fluoro-6-methyl-2-pyridinyl)-6-methylpyridine-2-carboxamide (CID 86607585) is 3-(3-cyanoanilino)-N-(5-fluoro-6-methyl-2-pyridinyl)-6-methylpyridine-2-carboxamide.
What is the SMILES notation for 3-(3-cyanoanilino)-N-(5-fluoro-6-methyl-2-pyridinyl)-6-methylpyridine-2-carboxamide?
The canonical SMILES for 3-(3-cyanoanilino)-N-(5-fluoro-6-methyl-2-pyridinyl)-6-methylpyridine-2-carboxamide is Cc1ccc(Nc2cccc(C#N)c2)c(C(=O)Nc2ccc(F)c(C)n2)n1.
What is the InChIKey of 3-(3-cyanoanilino)-N-(5-fluoro-6-methyl-2-pyridinyl)-6-methylpyridine-2-carboxamide?
The InChIKey is IUHSWQFQEVZFQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16FN5O/c1-12-6-8-17(25-15-5-3-4-14(10-15)11-22)19(23-12)20(27)26-18-9-7-16(21)13(2)24-18/h3-10,25H,1-2H3,(H,24,26,27).
What are the key properties of 3-(3-cyanoanilino)-N-(5-fluoro-6-methyl-2-pyridinyl)-6-methylpyridine-2-carboxamide?
3-(3-cyanoanilino)-N-(5-fluoro-6-methyl-2-pyridinyl)-6-methylpyridine-2-carboxamide has a molecular weight of 361.38 g/mol, XLogP of 4.10, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-cyanoanilino)-N-(5-fluoro-6-methyl-2-pyridinyl)-6-methylpyridine-2-carboxamide is sourced from PubChem (CID 86607585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).