2-amino-N-(3-chloro-5-fluorophenyl)-6-methylpyridine-4-carboxamide

C13H11ClFN3O — CID 107370448

IUPAC2-amino-N-(3-chloro-5-fluorophenyl)-6-methylpyridine-4-carboxamide
SMILESCc1cc(C(=O)Nc2cc(F)cc(Cl)c2)cc(N)n1
InChIInChI=1S/C13H11ClFN3O/c1-7-2-8(3-12(16)17-7)13(19)18-11-5-9(14)4-10(15)6-11/h2-6H,1H3,(H2,16,17)(H,18,19)
InChIKeyVNEINUAKBGUXCR-UHFFFAOYSA-N
MW279.70 g/mol
LogP3.02
Rot. Bonds2

About 2-amino-N-(3-chloro-5-fluorophenyl)-6-methylpyridine-4-carboxamide

2-amino-N-(3-chloro-5-fluorophenyl)-6-methylpyridine-4-carboxamide (PubChem CID 107370448) has the molecular formula C13H11ClFN3O and a molecular weight of 279.70 g/mol. Its IUPAC name is 2-amino-N-(3-chloro-5-fluorophenyl)-6-methylpyridine-4-carboxamide.

Molecular Properties

Compound Name2-amino-N-(3-chloro-5-fluorophenyl)-6-methylpyridine-4-carboxamide
PubChem CID107370448
Molecular FormulaC13H11ClFN3O
Molecular Weight279.70 g/mol
Exact Mass279.06
IUPAC Name2-amino-N-(3-chloro-5-fluorophenyl)-6-methylpyridine-4-carboxamide
SMILESCc1cc(C(=O)Nc2cc(F)cc(Cl)c2)cc(N)n1
InChIInChI=1S/C13H11ClFN3O/c1-7-2-8(3-12(16)17-7)13(19)18-11-5-9(14)4-10(15)6-11/h2-6H,1H3,(H2,16,17)(H,18,19)
InChIKeyVNEINUAKBGUXCR-UHFFFAOYSA-N
XLogP3.02
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.70
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-N-(3-chloro-5-fluorophenyl)-3-methylbenzamide
CID 107363413
3-bromo-N-(3-chloro-5-fluorophenyl)-5-methylbenzamide
CID 107366667
3-amino-N-(3-chloro-5-fluorophenyl)-4-methoxybenzamide
CID 107363446
2-amino-N-(2-chloro-4-iodophenyl)-6-methylpyridine-4-carboxamide
CID 107606088
4-amino-N-(3-chloro-5-fluorophenyl)-2-(methylamino)-1,3-thiazole-5-carboxamide
CID 107371265
3,5-diamino-N-(3-fluoro-5-methylphenyl)benzamide
CID 79049078
2-amino-6-methyl-N-(5-methyl-1,3-thiazol-2-yl)pyridine-4-carboxamide
CID 113378971
3-amino-5-bromo-N-(3-chloro-5-fluorophenyl)-2-methylbenzamide
CID 107873288
2-amino-N-(5-bromo-4-fluoro-2-methylphenyl)-6-methylpyridine-4-carboxamide
CID 107593919
N-(3-chloro-5-fluorophenyl)-2-hydrazinylpyridine-4-carboxamide
CID 107370610
3,5-diamino-N-(3,5-difluorophenyl)benzamide
CID 61091904
2-amino-6-methyl-N-(2-methylphenyl)pyridine-4-carboxamide
CID 113378981

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(3-chloro-5-fluorophenyl)-6-methylpyridine-4-carboxamide?
The IUPAC name of 2-amino-N-(3-chloro-5-fluorophenyl)-6-methylpyridine-4-carboxamide (CID 107370448) is 2-amino-N-(3-chloro-5-fluorophenyl)-6-methylpyridine-4-carboxamide.
What is the SMILES notation for 2-amino-N-(3-chloro-5-fluorophenyl)-6-methylpyridine-4-carboxamide?
The canonical SMILES for 2-amino-N-(3-chloro-5-fluorophenyl)-6-methylpyridine-4-carboxamide is Cc1cc(C(=O)Nc2cc(F)cc(Cl)c2)cc(N)n1.
What is the InChIKey of 2-amino-N-(3-chloro-5-fluorophenyl)-6-methylpyridine-4-carboxamide?
The InChIKey is VNEINUAKBGUXCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClFN3O/c1-7-2-8(3-12(16)17-7)13(19)18-11-5-9(14)4-10(15)6-11/h2-6H,1H3,(H2,16,17)(H,18,19).
What are the key properties of 2-amino-N-(3-chloro-5-fluorophenyl)-6-methylpyridine-4-carboxamide?
2-amino-N-(3-chloro-5-fluorophenyl)-6-methylpyridine-4-carboxamide has a molecular weight of 279.70 g/mol, XLogP of 3.02, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(3-chloro-5-fluorophenyl)-6-methylpyridine-4-carboxamide is sourced from PubChem (CID 107370448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).