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

C13H11ClFN3O — CID 61111163

IUPAC5-amino-N-(4-chloro-2-fluorophenyl)-2-methylpyridine-3-carboxamide
SMILESCc1ncc(N)cc1C(=O)Nc1ccc(Cl)cc1F
InChIInChI=1S/C13H11ClFN3O/c1-7-10(5-9(16)6-17-7)13(19)18-12-3-2-8(14)4-11(12)15/h2-6H,16H2,1H3,(H,18,19)
InChIKeyDQRYKWBIFXELCR-UHFFFAOYSA-N
MW279.70 g/mol
LogP3.02
Rot. Bonds2

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

5-amino-N-(4-chloro-2-fluorophenyl)-2-methylpyridine-3-carboxamide (PubChem CID 61111163) has the molecular formula C13H11ClFN3O and a molecular weight of 279.70 g/mol. Its IUPAC name is 5-amino-N-(4-chloro-2-fluorophenyl)-2-methylpyridine-3-carboxamide.

Molecular Properties

Compound Name5-amino-N-(4-chloro-2-fluorophenyl)-2-methylpyridine-3-carboxamide
PubChem CID61111163
Molecular FormulaC13H11ClFN3O
Molecular Weight279.70 g/mol
Exact Mass279.06
IUPAC Name5-amino-N-(4-chloro-2-fluorophenyl)-2-methylpyridine-3-carboxamide
SMILESCc1ncc(N)cc1C(=O)Nc1ccc(Cl)cc1F
InChIInChI=1S/C13H11ClFN3O/c1-7-10(5-9(16)6-17-7)13(19)18-12-3-2-8(14)4-11(12)15/h2-6H,16H2,1H3,(H,18,19)
InChIKeyDQRYKWBIFXELCR-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

5-amino-N-(2-fluoro-5-methylphenyl)-2-methylpyridine-3-carboxamide
CID 54916911
5-amino-N-(4-fluoro-3-methylphenyl)-2-methylpyridine-3-carboxamide
CID 62811391
5-amino-N-(3-chloro-2-methylphenyl)-2-methylpyridine-3-carboxamide
CID 54917147
5-amino-2-methyl-N-(2-methylsulfanylphenyl)pyridine-3-carboxamide
CID 61117272
5-amino-N-(3-fluoro-4-methylphenyl)-2-methylpyridine-3-carboxamide
CID 54914178
5-amino-N-(3,5-difluorophenyl)-2-methylpyridine-3-carboxamide
CID 54914274
2-amino-N-(4-chloro-2-fluorophenyl)-3-fluoropyridine-4-carboxamide
CID 105385883
N-(4-chloro-2-fluorophenyl)-2-fluoro-5-methylbenzamide
CID 55083427
N-(4-chloro-2-fluorophenyl)-2-fluoropyridine-3-carboxamide
CID 107362716
5-amino-N-(2,5-dibromophenyl)-2-methylpyridine-3-carboxamide
CID 61466356
5-amino-N-(4-chloro-2-fluorophenyl)-2,4-difluorobenzamide
CID 61112671
3,5-diamino-N-(4-chloro-2-fluorophenyl)benzamide
CID 61111533

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(4-chloro-2-fluorophenyl)-2-methylpyridine-3-carboxamide?
The IUPAC name of 5-amino-N-(4-chloro-2-fluorophenyl)-2-methylpyridine-3-carboxamide (CID 61111163) is 5-amino-N-(4-chloro-2-fluorophenyl)-2-methylpyridine-3-carboxamide.
What is the SMILES notation for 5-amino-N-(4-chloro-2-fluorophenyl)-2-methylpyridine-3-carboxamide?
The canonical SMILES for 5-amino-N-(4-chloro-2-fluorophenyl)-2-methylpyridine-3-carboxamide is Cc1ncc(N)cc1C(=O)Nc1ccc(Cl)cc1F.
What is the InChIKey of 5-amino-N-(4-chloro-2-fluorophenyl)-2-methylpyridine-3-carboxamide?
The InChIKey is DQRYKWBIFXELCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClFN3O/c1-7-10(5-9(16)6-17-7)13(19)18-12-3-2-8(14)4-11(12)15/h2-6H,16H2,1H3,(H,18,19).
What are the key properties of 5-amino-N-(4-chloro-2-fluorophenyl)-2-methylpyridine-3-carboxamide?
5-amino-N-(4-chloro-2-fluorophenyl)-2-methylpyridine-3-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 5-amino-N-(4-chloro-2-fluorophenyl)-2-methylpyridine-3-carboxamide is sourced from PubChem (CID 61111163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).