4-(aminomethyl)-N-(3,4-difluorophenyl)pyridine-2-carboxamide

C13H11F2N3O — CID 115116953

IUPAC4-(aminomethyl)-N-(3,4-difluorophenyl)pyridine-2-carboxamide
SMILESNCc1ccnc(C(=O)Nc2ccc(F)c(F)c2)c1
InChIInChI=1S/C13H11F2N3O/c14-10-2-1-9(6-11(10)15)18-13(19)12-5-8(7-16)3-4-17-12/h1-6H,7,16H2,(H,18,19)
InChIKeyWXYSFMFGENWFKR-UHFFFAOYSA-N
MW263.25 g/mol
LogP2.07
Rot. Bonds3

About 4-(aminomethyl)-N-(3,4-difluorophenyl)pyridine-2-carboxamide

4-(aminomethyl)-N-(3,4-difluorophenyl)pyridine-2-carboxamide (PubChem CID 115116953) has the molecular formula C13H11F2N3O and a molecular weight of 263.25 g/mol. Its IUPAC name is 4-(aminomethyl)-N-(3,4-difluorophenyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name4-(aminomethyl)-N-(3,4-difluorophenyl)pyridine-2-carboxamide
PubChem CID115116953
Molecular FormulaC13H11F2N3O
Molecular Weight263.25 g/mol
Exact Mass263.09
IUPAC Name4-(aminomethyl)-N-(3,4-difluorophenyl)pyridine-2-carboxamide
SMILESNCc1ccnc(C(=O)Nc2ccc(F)c(F)c2)c1
InChIInChI=1S/C13H11F2N3O/c14-10-2-1-9(6-11(10)15)18-13(19)12-5-8(7-16)3-4-17-12/h1-6H,7,16H2,(H,18,19)
InChIKeyWXYSFMFGENWFKR-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

4-amino-N-(3,4-difluorophenyl)pyridine-2-carboxamide
CID 62154867
N-(3,4-difluorophenyl)-4-(pyridin-4-ylmethylamino)pyridine-2-carboxamide
CID 109213522
4-(aminomethyl)-N-(4-propylphenyl)pyridine-2-carboxamide
CID 115116947
N-(3,4-difluorophenyl)pyridine-2-carboxamide
CID 2571943
N-(3,4-difluorophenyl)-4-[(4-fluorophenyl)methylamino]pyridine-2-carboxamide
CID 109211615
2-N-(3,4-difluorophenyl)-4-N-(4-ethylphenyl)pyridine-2,4-dicarboxamide
CID 109092288
N-(3,4-difluorophenyl)-4-(prop-2-enylamino)pyridine-2-carboxamide
CID 109202462
N-(3,4-difluorophenyl)-4-pyrrolidin-1-ylpyridine-2-carboxamide
CID 109203985
N-[3-(aminomethyl)-4-fluorophenyl]pyridine-2-carboxamide
CID 62317302
4-(cyclohexylamino)-N-(3,4-difluorophenyl)pyridine-2-carboxamide
CID 109205065
2-N-(3,4-difluorophenyl)-4-N-(3-fluorophenyl)pyridine-2,4-dicarboxamide
CID 109093279
N-(3,4-difluorophenyl)-4-(3-methoxypropylamino)pyridine-2-carboxamide
CID 109206385

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-(3,4-difluorophenyl)pyridine-2-carboxamide?
The IUPAC name of 4-(aminomethyl)-N-(3,4-difluorophenyl)pyridine-2-carboxamide (CID 115116953) is 4-(aminomethyl)-N-(3,4-difluorophenyl)pyridine-2-carboxamide.
What is the SMILES notation for 4-(aminomethyl)-N-(3,4-difluorophenyl)pyridine-2-carboxamide?
The canonical SMILES for 4-(aminomethyl)-N-(3,4-difluorophenyl)pyridine-2-carboxamide is NCc1ccnc(C(=O)Nc2ccc(F)c(F)c2)c1.
What is the InChIKey of 4-(aminomethyl)-N-(3,4-difluorophenyl)pyridine-2-carboxamide?
The InChIKey is WXYSFMFGENWFKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F2N3O/c14-10-2-1-9(6-11(10)15)18-13(19)12-5-8(7-16)3-4-17-12/h1-6H,7,16H2,(H,18,19).
What are the key properties of 4-(aminomethyl)-N-(3,4-difluorophenyl)pyridine-2-carboxamide?
4-(aminomethyl)-N-(3,4-difluorophenyl)pyridine-2-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 4-(aminomethyl)-N-(3,4-difluorophenyl)pyridine-2-carboxamide is sourced from PubChem (CID 115116953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).