2-(aminomethyl)-N-[(2,4-difluorophenyl)methyl]pyridine-4-carboxamide

C14H13F2N3O — CID 114326448

IUPAC2-(aminomethyl)-N-[(2,4-difluorophenyl)methyl]pyridine-4-carboxamide
SMILESNCc1cc(C(=O)NCc2ccc(F)cc2F)ccn1
InChIInChI=1S/C14H13F2N3O/c15-11-2-1-10(13(16)6-11)8-19-14(20)9-3-4-18-12(5-9)7-17/h1-6H,7-8,17H2,(H,19,20)
InChIKeyOVMDVGHSLHUHPY-UHFFFAOYSA-N
MW277.27 g/mol
LogP1.75
Rot. Bonds4

About 2-(aminomethyl)-N-[(2,4-difluorophenyl)methyl]pyridine-4-carboxamide

2-(aminomethyl)-N-[(2,4-difluorophenyl)methyl]pyridine-4-carboxamide (PubChem CID 114326448) has the molecular formula C14H13F2N3O and a molecular weight of 277.27 g/mol. Its IUPAC name is 2-(aminomethyl)-N-[(2,4-difluorophenyl)methyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-[(2,4-difluorophenyl)methyl]pyridine-4-carboxamide
PubChem CID114326448
Molecular FormulaC14H13F2N3O
Molecular Weight277.27 g/mol
Exact Mass277.10
IUPAC Name2-(aminomethyl)-N-[(2,4-difluorophenyl)methyl]pyridine-4-carboxamide
SMILESNCc1cc(C(=O)NCc2ccc(F)cc2F)ccn1
InChIInChI=1S/C14H13F2N3O/c15-11-2-1-10(13(16)6-11)8-19-14(20)9-3-4-18-12(5-9)7-17/h1-6H,7-8,17H2,(H,19,20)
InChIKeyOVMDVGHSLHUHPY-UHFFFAOYSA-N
XLogP1.75
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.27
LogP ≤ 51.75
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-(2,5-difluorophenyl)pyridine-4-carboxamide
CID 114325502
N-(2-aminoethyl)-2-(aminomethyl)pyridine-4-carboxamide
CID 114326296
N-[(2-fluorophenyl)methyl]-2-(hydroxymethyl)pyridine-4-carboxamide
CID 115116099
2-(aminomethyl)-N-[2-(2-fluorophenyl)ethyl]pyridine-4-carboxamide
CID 112529343
4-carbamothioyl-N-[(2,4-difluorophenyl)methyl]benzamide
CID 62063820
3-[(2,4-difluorophenyl)methylcarbamoyl]benzoic acid
CID 62229810
N-[(2,4-difluorophenyl)methyl]-4-iodobenzamide
CID 60739464
2-(aminomethyl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]pyridine-4-carboxamide
CID 113277766
2-(aminomethyl)-N-[1-(2,5-difluorophenyl)ethyl]pyridine-4-carboxamide
CID 114325748
N-[(2,4-difluorophenyl)methyl]-1,2-oxazole-5-carboxamide
CID 155823207
2-(aminomethyl)-N-(5-fluoro-2-pyridinyl)pyridine-4-carboxamide
CID 114326701

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-[(2,4-difluorophenyl)methyl]pyridine-4-carboxamide?
The IUPAC name of 2-(aminomethyl)-N-[(2,4-difluorophenyl)methyl]pyridine-4-carboxamide (CID 114326448) is 2-(aminomethyl)-N-[(2,4-difluorophenyl)methyl]pyridine-4-carboxamide.
What is the SMILES notation for 2-(aminomethyl)-N-[(2,4-difluorophenyl)methyl]pyridine-4-carboxamide?
The canonical SMILES for 2-(aminomethyl)-N-[(2,4-difluorophenyl)methyl]pyridine-4-carboxamide is NCc1cc(C(=O)NCc2ccc(F)cc2F)ccn1.
What is the InChIKey of 2-(aminomethyl)-N-[(2,4-difluorophenyl)methyl]pyridine-4-carboxamide?
The InChIKey is OVMDVGHSLHUHPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F2N3O/c15-11-2-1-10(13(16)6-11)8-19-14(20)9-3-4-18-12(5-9)7-17/h1-6H,7-8,17H2,(H,19,20).
What are the key properties of 2-(aminomethyl)-N-[(2,4-difluorophenyl)methyl]pyridine-4-carboxamide?
2-(aminomethyl)-N-[(2,4-difluorophenyl)methyl]pyridine-4-carboxamide has a molecular weight of 277.27 g/mol, XLogP of 1.75, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-[(2,4-difluorophenyl)methyl]pyridine-4-carboxamide is sourced from PubChem (CID 114326448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).