5-(3-cyanoanilino)-2-(3-fluoro-5-methylanilino)pyridine-3-carboxamide

C20H16FN5O — CID 165177918

IUPAC5-(3-cyanoanilino)-2-(3-fluoro-5-methylanilino)pyridine-3-carboxamide
SMILESCc1cc(F)cc(Nc2ncc(Nc3cccc(C#N)c3)cc2C(N)=O)c1
InChIInChI=1S/C20H16FN5O/c1-12-5-14(21)8-16(6-12)26-20-18(19(23)27)9-17(11-24-20)25-15-4-2-3-13(7-15)10-22/h2-9,11,25H,1H3,(H2,23,27)(H,24,26)
InChIKeyNOTIKRUIEDATRX-UHFFFAOYSA-N
MW361.38 g/mol
LogP3.99
Rot. Bonds5

About 5-(3-cyanoanilino)-2-(3-fluoro-5-methylanilino)pyridine-3-carboxamide

5-(3-cyanoanilino)-2-(3-fluoro-5-methylanilino)pyridine-3-carboxamide (PubChem CID 165177918) has the molecular formula C20H16FN5O and a molecular weight of 361.38 g/mol. Its IUPAC name is 5-(3-cyanoanilino)-2-(3-fluoro-5-methylanilino)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-(3-cyanoanilino)-2-(3-fluoro-5-methylanilino)pyridine-3-carboxamide
PubChem CID165177918
Molecular FormulaC20H16FN5O
Molecular Weight361.38 g/mol
Exact Mass361.13
IUPAC Name5-(3-cyanoanilino)-2-(3-fluoro-5-methylanilino)pyridine-3-carboxamide
SMILESCc1cc(F)cc(Nc2ncc(Nc3cccc(C#N)c3)cc2C(N)=O)c1
InChIInChI=1S/C20H16FN5O/c1-12-5-14(21)8-16(6-12)26-20-18(19(23)27)9-17(11-24-20)25-15-4-2-3-13(7-15)10-22/h2-9,11,25H,1H3,(H2,23,27)(H,24,26)
InChIKeyNOTIKRUIEDATRX-UHFFFAOYSA-N
XLogP3.99
TPSA103.83 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.38
LogP ≤ 53.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-(3-amino-5-methylanilino)benzonitrile
CID 112647049
3-[(5-methyl-3-pyridinyl)amino]benzonitrile
CID 71051336
5-(3-cyanoanilino)-N-(3-methylphenyl)pyridine-2-carboxamide
CID 109197351
ethyl 2-(3-cyanoanilino)pyridine-3-carboxylate
CID 19085386
methyl 4-(3-cyanoanilino)pyrimidine-5-carboxylate
CID 114214005
2-methyl-4-(3-methylanilino)pyrimidine-5-carboxamide
CID 67477026
5-fluoro-2-(3-pyrimidin-2-ylanilino)pyridine-3-carboxamide
CID 67509443
1-[5-(3-cyanoanilino)-2-pyridinyl]-3-phenylurea
CID 113037197
5-amino-2-(2-cyano-4-fluoroanilino)pyridine-3-carboxamide
CID 82012776
5-(3-cyanoanilino)-N-(2,4,6-trimethylphenyl)pyridine-3-carboxamide
CID 109243920
3-[(2-amino-5-fluoropyrimidin-4-yl)amino]benzonitrile
CID 80760407
3-[(2-amino-5-methylpyrimidin-4-yl)amino]benzonitrile
CID 80760475

Frequently Asked Questions

What is the IUPAC name of 5-(3-cyanoanilino)-2-(3-fluoro-5-methylanilino)pyridine-3-carboxamide?
The IUPAC name of 5-(3-cyanoanilino)-2-(3-fluoro-5-methylanilino)pyridine-3-carboxamide (CID 165177918) is 5-(3-cyanoanilino)-2-(3-fluoro-5-methylanilino)pyridine-3-carboxamide.
What is the SMILES notation for 5-(3-cyanoanilino)-2-(3-fluoro-5-methylanilino)pyridine-3-carboxamide?
The canonical SMILES for 5-(3-cyanoanilino)-2-(3-fluoro-5-methylanilino)pyridine-3-carboxamide is Cc1cc(F)cc(Nc2ncc(Nc3cccc(C#N)c3)cc2C(N)=O)c1.
What is the InChIKey of 5-(3-cyanoanilino)-2-(3-fluoro-5-methylanilino)pyridine-3-carboxamide?
The InChIKey is NOTIKRUIEDATRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16FN5O/c1-12-5-14(21)8-16(6-12)26-20-18(19(23)27)9-17(11-24-20)25-15-4-2-3-13(7-15)10-22/h2-9,11,25H,1H3,(H2,23,27)(H,24,26).
What are the key properties of 5-(3-cyanoanilino)-2-(3-fluoro-5-methylanilino)pyridine-3-carboxamide?
5-(3-cyanoanilino)-2-(3-fluoro-5-methylanilino)pyridine-3-carboxamide has a molecular weight of 361.38 g/mol, XLogP of 3.99, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-cyanoanilino)-2-(3-fluoro-5-methylanilino)pyridine-3-carboxamide is sourced from PubChem (CID 165177918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).