2-(aminomethyl)-N-(5-chloro-2-fluorophenyl)pyridine-4-carboxamide

C13H11ClFN3O — CID 114325635

IUPAC2-(aminomethyl)-N-(5-chloro-2-fluorophenyl)pyridine-4-carboxamide
SMILESNCc1cc(C(=O)Nc2cc(Cl)ccc2F)ccn1
InChIInChI=1S/C13H11ClFN3O/c14-9-1-2-11(15)12(6-9)18-13(19)8-3-4-17-10(5-8)7-16/h1-6H,7,16H2,(H,18,19)
InChIKeyCTRMKCNGTHNBAA-UHFFFAOYSA-N
MW279.70 g/mol
LogP2.59
Rot. Bonds3

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

2-(aminomethyl)-N-(5-chloro-2-fluorophenyl)pyridine-4-carboxamide (PubChem CID 114325635) has the molecular formula C13H11ClFN3O and a molecular weight of 279.70 g/mol. Its IUPAC name is 2-(aminomethyl)-N-(5-chloro-2-fluorophenyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-(5-chloro-2-fluorophenyl)pyridine-4-carboxamide
PubChem CID114325635
Molecular FormulaC13H11ClFN3O
Molecular Weight279.70 g/mol
Exact Mass279.06
IUPAC Name2-(aminomethyl)-N-(5-chloro-2-fluorophenyl)pyridine-4-carboxamide
SMILESNCc1cc(C(=O)Nc2cc(Cl)ccc2F)ccn1
InChIInChI=1S/C13H11ClFN3O/c14-9-1-2-11(15)12(6-9)18-13(19)8-3-4-17-10(5-8)7-16/h1-6H,7,16H2,(H,18,19)
InChIKeyCTRMKCNGTHNBAA-UHFFFAOYSA-N
XLogP2.59
TPSA68.01 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 ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-(aminomethyl)-N-(5-chloro-2-fluorophenyl)pyridine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(aminomethyl)-N-(2,5-difluorophenyl)pyridine-4-carboxamide
CID 114325502
2-[[2-(aminomethyl)pyridine-4-carbonyl]amino]-4-chlorobenzoic acid
CID 114326185
2-(aminomethyl)-N-(2,4-difluorophenyl)pyridine-4-carboxamide
CID 114325533
4-chloro-N-(5-chloro-2-fluorophenyl)pyridine-2-carboxamide
CID 43385379
2-(aminomethyl)-N-(2-chloro-5-methoxyphenyl)pyridine-4-carboxamide
CID 114326382
2-(aminomethyl)-N-(5-fluoro-2-pyridinyl)pyridine-4-carboxamide
CID 114326701
N-[5-chloro-2-(dimethylamino)phenyl]-2-fluoropyridine-4-carboxamide
CID 60565434
2-(aminomethyl)-N-(2-chloro-4-nitrophenyl)pyridine-4-carboxamide
CID 114325780
2-butyl-N-(5-chloro-2-hydroxyphenyl)pyridine-4-carboxamide
CID 10494761
N-(2-aminoethyl)-2-(aminomethyl)pyridine-4-carboxamide
CID 114326296
2,6-dichloro-N-(5-chloro-2-fluorophenyl)pyridine-4-carboxamide
CID 43384924
2-(aminomethyl)-N-(2-hydroxy-5-methylphenyl)pyridine-4-carboxamide
CID 114326804

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-(5-chloro-2-fluorophenyl)pyridine-4-carboxamide?
The IUPAC name of 2-(aminomethyl)-N-(5-chloro-2-fluorophenyl)pyridine-4-carboxamide (CID 114325635) is 2-(aminomethyl)-N-(5-chloro-2-fluorophenyl)pyridine-4-carboxamide.
What is the SMILES notation for 2-(aminomethyl)-N-(5-chloro-2-fluorophenyl)pyridine-4-carboxamide?
The canonical SMILES for 2-(aminomethyl)-N-(5-chloro-2-fluorophenyl)pyridine-4-carboxamide is NCc1cc(C(=O)Nc2cc(Cl)ccc2F)ccn1.
What is the InChIKey of 2-(aminomethyl)-N-(5-chloro-2-fluorophenyl)pyridine-4-carboxamide?
The InChIKey is CTRMKCNGTHNBAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClFN3O/c14-9-1-2-11(15)12(6-9)18-13(19)8-3-4-17-10(5-8)7-16/h1-6H,7,16H2,(H,18,19).
What are the key properties of 2-(aminomethyl)-N-(5-chloro-2-fluorophenyl)pyridine-4-carboxamide?
2-(aminomethyl)-N-(5-chloro-2-fluorophenyl)pyridine-4-carboxamide has a molecular weight of 279.70 g/mol, XLogP of 2.59, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-(5-chloro-2-fluorophenyl)pyridine-4-carboxamide is sourced from PubChem (CID 114325635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).