2-(aminomethyl)-N-(2,5-difluorophenyl)pyridine-4-carboxamide

C13H11F2N3O — CID 114325502

IUPAC2-(aminomethyl)-N-(2,5-difluorophenyl)pyridine-4-carboxamide
SMILESNCc1cc(C(=O)Nc2cc(F)ccc2F)ccn1
InChIInChI=1S/C13H11F2N3O/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)
InChIKeyOXHDKOCHLUJNIQ-UHFFFAOYSA-N
MW263.25 g/mol
LogP2.07
Rot. Bonds3

About 2-(aminomethyl)-N-(2,5-difluorophenyl)pyridine-4-carboxamide

2-(aminomethyl)-N-(2,5-difluorophenyl)pyridine-4-carboxamide (PubChem CID 114325502) has the molecular formula C13H11F2N3O and a molecular weight of 263.25 g/mol. Its IUPAC name is 2-(aminomethyl)-N-(2,5-difluorophenyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-(2,5-difluorophenyl)pyridine-4-carboxamide
PubChem CID114325502
Molecular FormulaC13H11F2N3O
Molecular Weight263.25 g/mol
Exact Mass263.09
IUPAC Name2-(aminomethyl)-N-(2,5-difluorophenyl)pyridine-4-carboxamide
SMILESNCc1cc(C(=O)Nc2cc(F)ccc2F)ccn1
InChIInChI=1S/C13H11F2N3O/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)
InChIKeyOXHDKOCHLUJNIQ-UHFFFAOYSA-N
XLogP2.07
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.25
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(aminomethyl)-N-(2,4-difluorophenyl)pyridine-4-carboxamide
CID 114325533
2-(aminomethyl)-N-(5-chloro-2-fluorophenyl)pyridine-4-carboxamide
CID 114325635
2-(aminomethyl)-N-(5-fluoro-2-pyridinyl)pyridine-4-carboxamide
CID 114326701
2-(aminomethyl)-N-[(2,4-difluorophenyl)methyl]pyridine-4-carboxamide
CID 114326448
2-(aminomethyl)-N-[1-(2,5-difluorophenyl)ethyl]pyridine-4-carboxamide
CID 114325748
2-[[2-(aminomethyl)pyridine-4-carbonyl]amino]-4-chlorobenzoic acid
CID 114326185
6-amino-N-(2,5-difluorophenyl)pyridine-3-carboxamide
CID 62152342
N-(2-aminoethyl)-2-(aminomethyl)pyridine-4-carboxamide
CID 114326296
2-(aminomethyl)-N-(2-hydroxy-5-methylphenyl)pyridine-4-carboxamide
CID 114326804
2-(aminomethyl)-N-(4-iodo-2-methylphenyl)pyridine-4-carboxamide
CID 114325820
4-chloro-N-(2,5-difluorophenyl)benzamide
CID 2969912
2-(aminomethyl)-N-(4-carbamoylphenyl)pyridine-4-carboxamide
CID 114325508

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-(2,5-difluorophenyl)pyridine-4-carboxamide?
The IUPAC name of 2-(aminomethyl)-N-(2,5-difluorophenyl)pyridine-4-carboxamide (CID 114325502) is 2-(aminomethyl)-N-(2,5-difluorophenyl)pyridine-4-carboxamide.
What is the SMILES notation for 2-(aminomethyl)-N-(2,5-difluorophenyl)pyridine-4-carboxamide?
The canonical SMILES for 2-(aminomethyl)-N-(2,5-difluorophenyl)pyridine-4-carboxamide is NCc1cc(C(=O)Nc2cc(F)ccc2F)ccn1.
What is the InChIKey of 2-(aminomethyl)-N-(2,5-difluorophenyl)pyridine-4-carboxamide?
The InChIKey is OXHDKOCHLUJNIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F2N3O/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-(2,5-difluorophenyl)pyridine-4-carboxamide?
2-(aminomethyl)-N-(2,5-difluorophenyl)pyridine-4-carboxamide has a molecular weight of 263.25 g/mol, XLogP of 2.07, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-(2,5-difluorophenyl)pyridine-4-carboxamide is sourced from PubChem (CID 114325502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).