5-amino-2-(2,5-difluoro-4-methylanilino)pyridine-3-carboxamide

C13H12F2N4O — CID 103584436

IUPAC5-amino-2-(2,5-difluoro-4-methylanilino)pyridine-3-carboxamide
SMILESCc1cc(F)c(Nc2ncc(N)cc2C(N)=O)cc1F
InChIInChI=1S/C13H12F2N4O/c1-6-2-10(15)11(4-9(6)14)19-13-8(12(17)20)3-7(16)5-18-13/h2-5H,16H2,1H3,(H2,17,20)(H,18,19)
InChIKeyLWSFPAIWIIATPD-UHFFFAOYSA-N
MW278.26 g/mol
LogP2.09
Rot. Bonds3

About 5-amino-2-(2,5-difluoro-4-methylanilino)pyridine-3-carboxamide

5-amino-2-(2,5-difluoro-4-methylanilino)pyridine-3-carboxamide (PubChem CID 103584436) has the molecular formula C13H12F2N4O and a molecular weight of 278.26 g/mol. Its IUPAC name is 5-amino-2-(2,5-difluoro-4-methylanilino)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-amino-2-(2,5-difluoro-4-methylanilino)pyridine-3-carboxamide
PubChem CID103584436
Molecular FormulaC13H12F2N4O
Molecular Weight278.26 g/mol
Exact Mass278.10
IUPAC Name5-amino-2-(2,5-difluoro-4-methylanilino)pyridine-3-carboxamide
SMILESCc1cc(F)c(Nc2ncc(N)cc2C(N)=O)cc1F
InChIInChI=1S/C13H12F2N4O/c1-6-2-10(15)11(4-9(6)14)19-13-8(12(17)20)3-7(16)5-18-13/h2-5H,16H2,1H3,(H2,17,20)(H,18,19)
InChIKeyLWSFPAIWIIATPD-UHFFFAOYSA-N
XLogP2.09
TPSA94.03 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.26
LogP ≤ 52.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

5-amino-2-(2,5-difluoroanilino)pyridine-3-carboxamide
CID 61359558
5-amino-2-(4-bromo-3,5-dimethylanilino)pyridine-3-carboxamide
CID 107571322
5-amino-2-(2,5-difluoro-4-methylanilino)pyridine-3-carbonitrile
CID 103584541
5-amino-6-(2,5-difluoro-4-methylanilino)pyridine-3-carboxylic acid
CID 103587165
5-amino-2-(2-bromo-4-methylanilino)pyridine-3-carboxamide
CID 61358200
5-amino-2-(3-chloro-4-fluoroanilino)pyridine-3-carboxamide
CID 61359759
5-amino-2-(2-cyano-4-fluoroanilino)pyridine-3-carboxamide
CID 82012776
5-amino-2-(4-chloroanilino)pyridine-3-carboxamide
CID 61358006
5-amino-2-(ethylamino)pyridine-3-carboxamide
CID 61357419
4-fluoro-2,5-dimethylbenzamide
CID 119025196
5-chloro-4-N-(2,5-difluoro-4-methylphenyl)pyrimidine-2,4-diamine
CID 103587802
5-amino-2-[(1-methylpyrazol-3-yl)amino]pyridine-3-carboxamide
CID 79770477

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-(2,5-difluoro-4-methylanilino)pyridine-3-carboxamide?
The IUPAC name of 5-amino-2-(2,5-difluoro-4-methylanilino)pyridine-3-carboxamide (CID 103584436) is 5-amino-2-(2,5-difluoro-4-methylanilino)pyridine-3-carboxamide.
What is the SMILES notation for 5-amino-2-(2,5-difluoro-4-methylanilino)pyridine-3-carboxamide?
The canonical SMILES for 5-amino-2-(2,5-difluoro-4-methylanilino)pyridine-3-carboxamide is Cc1cc(F)c(Nc2ncc(N)cc2C(N)=O)cc1F.
What is the InChIKey of 5-amino-2-(2,5-difluoro-4-methylanilino)pyridine-3-carboxamide?
The InChIKey is LWSFPAIWIIATPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F2N4O/c1-6-2-10(15)11(4-9(6)14)19-13-8(12(17)20)3-7(16)5-18-13/h2-5H,16H2,1H3,(H2,17,20)(H,18,19).
What are the key properties of 5-amino-2-(2,5-difluoro-4-methylanilino)pyridine-3-carboxamide?
5-amino-2-(2,5-difluoro-4-methylanilino)pyridine-3-carboxamide has a molecular weight of 278.26 g/mol, XLogP of 2.09, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-(2,5-difluoro-4-methylanilino)pyridine-3-carboxamide is sourced from PubChem (CID 103584436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).