N-(5-chloro-2-fluorophenyl)-3-(methylamino)pyridine-4-carboxamide

C13H11ClFN3O — CID 105068601

IUPACN-(5-chloro-2-fluorophenyl)-3-(methylamino)pyridine-4-carboxamide
SMILESCNc1cnccc1C(=O)Nc1cc(Cl)ccc1F
InChIInChI=1S/C13H11ClFN3O/c1-16-12-7-17-5-4-9(12)13(19)18-11-6-8(14)2-3-10(11)15/h2-7,16H,1H3,(H,18,19)
InChIKeyQKMRLPKAYZQUCX-UHFFFAOYSA-N
MW279.70 g/mol
LogP3.17
Rot. Bonds3

About N-(5-chloro-2-fluorophenyl)-3-(methylamino)pyridine-4-carboxamide

N-(5-chloro-2-fluorophenyl)-3-(methylamino)pyridine-4-carboxamide (PubChem CID 105068601) has the molecular formula C13H11ClFN3O and a molecular weight of 279.70 g/mol. Its IUPAC name is N-(5-chloro-2-fluorophenyl)-3-(methylamino)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(5-chloro-2-fluorophenyl)-3-(methylamino)pyridine-4-carboxamide
PubChem CID105068601
Molecular FormulaC13H11ClFN3O
Molecular Weight279.70 g/mol
Exact Mass279.06
IUPAC NameN-(5-chloro-2-fluorophenyl)-3-(methylamino)pyridine-4-carboxamide
SMILESCNc1cnccc1C(=O)Nc1cc(Cl)ccc1F
InChIInChI=1S/C13H11ClFN3O/c1-16-12-7-17-5-4-9(12)13(19)18-11-6-8(14)2-3-10(11)15/h2-7,16H,1H3,(H,18,19)
InChIKeyQKMRLPKAYZQUCX-UHFFFAOYSA-N
XLogP3.17
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.70
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3,4-difluorophenyl)-3-(methylamino)pyridine-4-carboxamide
CID 105068229
N-(4-chloro-3-fluorophenyl)-3-(methylamino)pyridine-4-carboxamide
CID 105069465
5-chloro-N-(2,5-difluorophenyl)-2-(methylamino)benzamide
CID 62172768
N-(2-bromo-4-chlorophenyl)-3-fluoropyridine-4-carboxamide
CID 81024129
N-(5-chloro-2-methoxyphenyl)-4-(methylamino)pyridine-3-carboxamide
CID 81234108
N-(2,6-dichlorophenyl)-3-(methylamino)pyridine-4-carboxamide
CID 105070470
N-(2-fluoro-6-methylphenyl)-3-(methylamino)pyridine-4-carboxamide
CID 105071404
2,4-dichloro-N-[3-[(2,4-dichlorobenzoyl)amino]-4-pyridinyl]benzamide
CID 23828920
N-(3-fluoro-4-pyridinyl)-4-(methylamino)pyridine-3-carboxamide
CID 107595502
N-[1-(2,4-dichlorophenyl)ethyl]-3-(methylamino)pyridine-4-carboxamide
CID 105068061
N-(3,5-dimethylphenyl)-3-(methylamino)pyridine-4-carboxamide
CID 105068321
N-(5-chloro-2-fluorophenyl)-6-(methylamino)pyridine-3-carboxamide
CID 62169857

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-fluorophenyl)-3-(methylamino)pyridine-4-carboxamide?
The IUPAC name of N-(5-chloro-2-fluorophenyl)-3-(methylamino)pyridine-4-carboxamide (CID 105068601) is N-(5-chloro-2-fluorophenyl)-3-(methylamino)pyridine-4-carboxamide.
What is the SMILES notation for N-(5-chloro-2-fluorophenyl)-3-(methylamino)pyridine-4-carboxamide?
The canonical SMILES for N-(5-chloro-2-fluorophenyl)-3-(methylamino)pyridine-4-carboxamide is CNc1cnccc1C(=O)Nc1cc(Cl)ccc1F.
What is the InChIKey of N-(5-chloro-2-fluorophenyl)-3-(methylamino)pyridine-4-carboxamide?
The InChIKey is QKMRLPKAYZQUCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClFN3O/c1-16-12-7-17-5-4-9(12)13(19)18-11-6-8(14)2-3-10(11)15/h2-7,16H,1H3,(H,18,19).
What are the key properties of N-(5-chloro-2-fluorophenyl)-3-(methylamino)pyridine-4-carboxamide?
N-(5-chloro-2-fluorophenyl)-3-(methylamino)pyridine-4-carboxamide has a molecular weight of 279.70 g/mol, XLogP of 3.17, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-fluorophenyl)-3-(methylamino)pyridine-4-carboxamide is sourced from PubChem (CID 105068601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).