N-[5-(aminomethyl)-2-pyridinyl]-2,4-difluorobenzamide

C13H11F2N3O — CID 62350431

IUPACN-[5-(aminomethyl)-2-pyridinyl]-2,4-difluorobenzamide
SMILESNCc1ccc(NC(=O)c2ccc(F)cc2F)nc1
InChIInChI=1S/C13H11F2N3O/c14-9-2-3-10(11(15)5-9)13(19)18-12-4-1-8(6-16)7-17-12/h1-5,7H,6,16H2,(H,17,18,19)
InChIKeyGGKWTBLVLISVGQ-UHFFFAOYSA-N
MW263.25 g/mol
LogP2.07
Rot. Bonds3

About N-[5-(aminomethyl)-2-pyridinyl]-2,4-difluorobenzamide

N-[5-(aminomethyl)-2-pyridinyl]-2,4-difluorobenzamide (PubChem CID 62350431) has the molecular formula C13H11F2N3O and a molecular weight of 263.25 g/mol. Its IUPAC name is N-[5-(aminomethyl)-2-pyridinyl]-2,4-difluorobenzamide.

Molecular Properties

Compound NameN-[5-(aminomethyl)-2-pyridinyl]-2,4-difluorobenzamide
PubChem CID62350431
Molecular FormulaC13H11F2N3O
Molecular Weight263.25 g/mol
Exact Mass263.09
IUPAC NameN-[5-(aminomethyl)-2-pyridinyl]-2,4-difluorobenzamide
SMILESNCc1ccc(NC(=O)c2ccc(F)cc2F)nc1
InChIInChI=1S/C13H11F2N3O/c14-9-2-3-10(11(15)5-9)13(19)18-12-4-1-8(6-16)7-17-12/h1-5,7H,6,16H2,(H,17,18,19)
InChIKeyGGKWTBLVLISVGQ-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

6-[(2,4-difluorobenzoyl)amino]pyridine-3-carboxylic acid
CID 22099949
N-[5-(aminomethyl)-2-pyridinyl]-2-fluoro-3-methylbenzamide
CID 81481667
N-[5-(aminomethyl)-2-pyridinyl]-4-methylbenzamide
CID 55063231
2-(3-aminoprop-1-ynyl)-4-fluoro-N-(5-fluoro-2-pyridinyl)benzamide
CID 65480491
N-(1-aminopropan-2-yl)-2,4-difluorobenzamide
CID 63731532
2-amino-4-fluoro-N-(5-methyl-2-pyridinyl)benzamide
CID 112687750
N-(2-chloropyrimidin-4-yl)-2,4-difluorobenzamide
CID 116798586
N-(5-chloro-2-pyridinyl)-4-fluoro-2-methylbenzamide
CID 112702466
N-[5-(aminomethyl)-2-pyridinyl]quinoxaline-5-carboxamide
CID 104613994
4-(aminomethyl)-2-fluoro-N-pyridin-3-ylbenzamide
CID 70655233
2-fluoro-N-[5-[(4-fluorophenyl)methylamino]-2-pyridinyl]benzamide
CID 113027089
2-(aminomethyl)-N-(5-fluoro-2-pyridinyl)pyridine-4-carboxamide
CID 114326701

Frequently Asked Questions

What is the IUPAC name of N-[5-(aminomethyl)-2-pyridinyl]-2,4-difluorobenzamide?
The IUPAC name of N-[5-(aminomethyl)-2-pyridinyl]-2,4-difluorobenzamide (CID 62350431) is N-[5-(aminomethyl)-2-pyridinyl]-2,4-difluorobenzamide.
What is the SMILES notation for N-[5-(aminomethyl)-2-pyridinyl]-2,4-difluorobenzamide?
The canonical SMILES for N-[5-(aminomethyl)-2-pyridinyl]-2,4-difluorobenzamide is NCc1ccc(NC(=O)c2ccc(F)cc2F)nc1.
What is the InChIKey of N-[5-(aminomethyl)-2-pyridinyl]-2,4-difluorobenzamide?
The InChIKey is GGKWTBLVLISVGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F2N3O/c14-9-2-3-10(11(15)5-9)13(19)18-12-4-1-8(6-16)7-17-12/h1-5,7H,6,16H2,(H,17,18,19).
What are the key properties of N-[5-(aminomethyl)-2-pyridinyl]-2,4-difluorobenzamide?
N-[5-(aminomethyl)-2-pyridinyl]-2,4-difluorobenzamide 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 N-[5-(aminomethyl)-2-pyridinyl]-2,4-difluorobenzamide is sourced from PubChem (CID 62350431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).