2-(aminomethyl)-N-(5-fluoro-2-pyridinyl)pyridine-4-carboxamide

C12H11FN4O — CID 114326701

IUPAC2-(aminomethyl)-N-(5-fluoro-2-pyridinyl)pyridine-4-carboxamide
SMILESNCc1cc(C(=O)Nc2ccc(F)cn2)ccn1
InChIInChI=1S/C12H11FN4O/c13-9-1-2-11(16-7-9)17-12(18)8-3-4-15-10(5-8)6-14/h1-5,7H,6,14H2,(H,16,17,18)
InChIKeyQXQBPHPMURWCSK-UHFFFAOYSA-N
MW246.25 g/mol
LogP1.33
Rot. Bonds3

About 2-(aminomethyl)-N-(5-fluoro-2-pyridinyl)pyridine-4-carboxamide

2-(aminomethyl)-N-(5-fluoro-2-pyridinyl)pyridine-4-carboxamide (PubChem CID 114326701) has the molecular formula C12H11FN4O and a molecular weight of 246.25 g/mol. Its IUPAC name is 2-(aminomethyl)-N-(5-fluoro-2-pyridinyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-(5-fluoro-2-pyridinyl)pyridine-4-carboxamide
PubChem CID114326701
Molecular FormulaC12H11FN4O
Molecular Weight246.25 g/mol
Exact Mass246.09
IUPAC Name2-(aminomethyl)-N-(5-fluoro-2-pyridinyl)pyridine-4-carboxamide
SMILESNCc1cc(C(=O)Nc2ccc(F)cn2)ccn1
InChIInChI=1S/C12H11FN4O/c13-9-1-2-11(16-7-9)17-12(18)8-3-4-15-10(5-8)6-14/h1-5,7H,6,14H2,(H,16,17,18)
InChIKeyQXQBPHPMURWCSK-UHFFFAOYSA-N
XLogP1.33
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.25
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-fluoro-2-pyridinyl)-2-(methylamino)pyridine-4-carboxamide
CID 65479896
2-(aminomethyl)-N-(2,5-difluorophenyl)pyridine-4-carboxamide
CID 114325502
2-(aminomethyl)-N-(2,4-difluorophenyl)pyridine-4-carboxamide
CID 114325533
3,5-diamino-N-(5-fluoro-2-pyridinyl)benzamide
CID 65482634
4-amino-3-fluoro-N-(5-fluoro-2-pyridinyl)benzamide
CID 65481834
2-(aminomethyl)-N-(5-bromo-6-methyl-2-pyridinyl)pyridine-4-carboxamide
CID 114326756
3-amino-4-bromo-N-(5-fluoro-2-pyridinyl)benzamide
CID 65481637
2-(aminomethyl)-N-(5-chloro-2-fluorophenyl)pyridine-4-carboxamide
CID 114325635
4-(3-aminoprop-1-ynyl)-3-fluoro-N-(5-fluoro-2-pyridinyl)benzamide
CID 65480690
3-bromo-N-(5-fluoro-2-pyridinyl)benzamide
CID 52886230
2-(aminomethyl)-N-(5-propyl-1H-pyrazol-3-yl)pyridine-4-carboxamide
CID 104618234
N-(5-fluoro-2-pyridinyl)-3-hydroxy-4-methylbenzamide
CID 65479688

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-(5-fluoro-2-pyridinyl)pyridine-4-carboxamide?
The IUPAC name of 2-(aminomethyl)-N-(5-fluoro-2-pyridinyl)pyridine-4-carboxamide (CID 114326701) is 2-(aminomethyl)-N-(5-fluoro-2-pyridinyl)pyridine-4-carboxamide.
What is the SMILES notation for 2-(aminomethyl)-N-(5-fluoro-2-pyridinyl)pyridine-4-carboxamide?
The canonical SMILES for 2-(aminomethyl)-N-(5-fluoro-2-pyridinyl)pyridine-4-carboxamide is NCc1cc(C(=O)Nc2ccc(F)cn2)ccn1.
What is the InChIKey of 2-(aminomethyl)-N-(5-fluoro-2-pyridinyl)pyridine-4-carboxamide?
The InChIKey is QXQBPHPMURWCSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FN4O/c13-9-1-2-11(16-7-9)17-12(18)8-3-4-15-10(5-8)6-14/h1-5,7H,6,14H2,(H,16,17,18).
What are the key properties of 2-(aminomethyl)-N-(5-fluoro-2-pyridinyl)pyridine-4-carboxamide?
2-(aminomethyl)-N-(5-fluoro-2-pyridinyl)pyridine-4-carboxamide has a molecular weight of 246.25 g/mol, XLogP of 1.33, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-(5-fluoro-2-pyridinyl)pyridine-4-carboxamide is sourced from PubChem (CID 114326701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).