2-(aminomethyl)-N-[1-(2,5-difluorophenyl)ethyl]pyridine-4-carboxamide

C15H15F2N3O — CID 114325748

IUPAC2-(aminomethyl)-N-[1-(2,5-difluorophenyl)ethyl]pyridine-4-carboxamide
SMILESCC(NC(=O)c1ccnc(CN)c1)c1cc(F)ccc1F
InChIInChI=1S/C15H15F2N3O/c1-9(13-7-11(16)2-3-14(13)17)20-15(21)10-4-5-19-12(6-10)8-18/h2-7,9H,8,18H2,1H3,(H,20,21)
InChIKeyHEFURPHNZSXVLE-UHFFFAOYSA-N
MW291.30 g/mol
LogP2.31
Rot. Bonds4

About 2-(aminomethyl)-N-[1-(2,5-difluorophenyl)ethyl]pyridine-4-carboxamide

2-(aminomethyl)-N-[1-(2,5-difluorophenyl)ethyl]pyridine-4-carboxamide (PubChem CID 114325748) has the molecular formula C15H15F2N3O and a molecular weight of 291.30 g/mol. Its IUPAC name is 2-(aminomethyl)-N-[1-(2,5-difluorophenyl)ethyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-[1-(2,5-difluorophenyl)ethyl]pyridine-4-carboxamide
PubChem CID114325748
Molecular FormulaC15H15F2N3O
Molecular Weight291.30 g/mol
Exact Mass291.12
IUPAC Name2-(aminomethyl)-N-[1-(2,5-difluorophenyl)ethyl]pyridine-4-carboxamide
SMILESCC(NC(=O)c1ccnc(CN)c1)c1cc(F)ccc1F
InChIInChI=1S/C15H15F2N3O/c1-9(13-7-11(16)2-3-14(13)17)20-15(21)10-4-5-19-12(6-10)8-18/h2-7,9H,8,18H2,1H3,(H,20,21)
InChIKeyHEFURPHNZSXVLE-UHFFFAOYSA-N
XLogP2.31
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.30
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-(aminomethyl)-N-[1-(2,5-difluorophenyl)ethyl]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-[1-(2-methylphenyl)ethyl]pyridine-4-carboxamide
CID 114326314
N-[1-(2,5-difluorophenyl)ethyl]-4-fluorobenzamide
CID 60737307
N-[1-[2-fluoro-5-(trifluoromethyl)phenyl]ethyl]-2-(2-oxopropyl)pyridine-4-carboxamide
CID 158051254
2-(aminomethyl)-N-[(1S)-1-phenylethyl]pyridine-4-carboxamide
CID 114326595
2-(aminomethyl)-N-(2,5-difluorophenyl)pyridine-4-carboxamide
CID 114325502
2-(aminomethyl)-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]pyridine-4-carboxamide
CID 114325728
2-(aminomethyl)-N-(2,4-difluorophenyl)pyridine-4-carboxamide
CID 114325533
2-(aminomethyl)-N-[1-(3,4-dichlorophenyl)ethyl]pyridine-4-carboxamide
CID 114326268
2-(aminomethyl)-N-[1-(2H-tetrazol-5-yl)ethyl]pyridine-4-carboxamide
CID 114326404
2-(aminomethyl)-N-[(1S)-1-(3-methylphenyl)ethyl]pyridine-4-carboxamide
CID 114326876
2-(aminomethyl)-N-(3-methylpentan-2-yl)pyridine-4-carboxamide
CID 114326347
2-(aminomethyl)-N-[(2,4-difluorophenyl)methyl]pyridine-4-carboxamide
CID 114326448

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-[1-(2,5-difluorophenyl)ethyl]pyridine-4-carboxamide?
The IUPAC name of 2-(aminomethyl)-N-[1-(2,5-difluorophenyl)ethyl]pyridine-4-carboxamide (CID 114325748) is 2-(aminomethyl)-N-[1-(2,5-difluorophenyl)ethyl]pyridine-4-carboxamide.
What is the SMILES notation for 2-(aminomethyl)-N-[1-(2,5-difluorophenyl)ethyl]pyridine-4-carboxamide?
The canonical SMILES for 2-(aminomethyl)-N-[1-(2,5-difluorophenyl)ethyl]pyridine-4-carboxamide is CC(NC(=O)c1ccnc(CN)c1)c1cc(F)ccc1F.
What is the InChIKey of 2-(aminomethyl)-N-[1-(2,5-difluorophenyl)ethyl]pyridine-4-carboxamide?
The InChIKey is HEFURPHNZSXVLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F2N3O/c1-9(13-7-11(16)2-3-14(13)17)20-15(21)10-4-5-19-12(6-10)8-18/h2-7,9H,8,18H2,1H3,(H,20,21).
What are the key properties of 2-(aminomethyl)-N-[1-(2,5-difluorophenyl)ethyl]pyridine-4-carboxamide?
2-(aminomethyl)-N-[1-(2,5-difluorophenyl)ethyl]pyridine-4-carboxamide has a molecular weight of 291.30 g/mol, XLogP of 2.31, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-[1-(2,5-difluorophenyl)ethyl]pyridine-4-carboxamide is sourced from PubChem (CID 114325748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).