5-[(4-fluorophenyl)methylamino]-N,N-dimethylpyridine-2-carboxamide

C15H16FN3O — CID 12640237

IUPAC5-[(4-fluorophenyl)methylamino]-N,N-dimethylpyridine-2-carboxamide
SMILESCN(C)C(=O)c1ccc(NCc2ccc(F)cc2)cn1
InChIInChI=1S/C15H16FN3O/c1-19(2)15(20)14-8-7-13(10-18-14)17-9-11-3-5-12(16)6-4-11/h3-8,10,17H,9H2,1-2H3
InChIKeyLKESXHVDFZFZOJ-UHFFFAOYSA-N
MW273.31 g/mol
LogP2.53
Rot. Bonds4

About 5-[(4-fluorophenyl)methylamino]-N,N-dimethylpyridine-2-carboxamide

5-[(4-fluorophenyl)methylamino]-N,N-dimethylpyridine-2-carboxamide (PubChem CID 12640237) has the molecular formula C15H16FN3O and a molecular weight of 273.31 g/mol. Its IUPAC name is 5-[(4-fluorophenyl)methylamino]-N,N-dimethylpyridine-2-carboxamide.

Molecular Properties

Compound Name5-[(4-fluorophenyl)methylamino]-N,N-dimethylpyridine-2-carboxamide
PubChem CID12640237
Molecular FormulaC15H16FN3O
Molecular Weight273.31 g/mol
Exact Mass273.13
IUPAC Name5-[(4-fluorophenyl)methylamino]-N,N-dimethylpyridine-2-carboxamide
SMILESCN(C)C(=O)c1ccc(NCc2ccc(F)cc2)cn1
InChIInChI=1S/C15H16FN3O/c1-19(2)15(20)14-8-7-13(10-18-14)17-9-11-3-5-12(16)6-4-11/h3-8,10,17H,9H2,1-2H3
InChIKeyLKESXHVDFZFZOJ-UHFFFAOYSA-N
XLogP2.53
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.31
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(dimethylamino)phenyl]-5-[(4-fluorophenyl)methylamino]pyridine-2-carboxamide
CID 109189803
5-(ethylamino)-N,N-dimethylpyridine-2-carboxamide
CID 104639848
6-[(4-fluorophenyl)methylamino]-N,N-dimethylpyridine-3-carboxamide
CID 78956311
N-[(2-fluorophenyl)methyl]-5-[(4-fluorophenyl)methylamino]pyridine-2-carboxamide
CID 109189342
N-[(4-fluorophenyl)methyl]-5-[(3-methylphenyl)methylamino]pyridine-2-carboxamide
CID 109188488
N-(4-fluorophenyl)-5-(pyridin-4-ylmethylamino)pyridine-2-carboxamide
CID 109191663
N,N-diethyl-5-(pyridin-4-ylmethylamino)pyridine-2-carboxamide
CID 109191623
(4-ethylpiperazin-1-yl)-[5-[(4-fluorophenyl)methylamino]-2-pyridinyl]methanone
CID 109186613
N-[5-[(4-fluorophenyl)methylamino]-2-pyridinyl]propanamide
CID 113027073
N-(1,3-benzodioxol-5-yl)-5-[(4-fluorophenyl)methylamino]pyridine-2-carboxamide
CID 109189807
N-methyl-N-phenyl-5-(pyridin-4-ylmethylamino)pyridine-2-carboxamide
CID 109191642
N-(3-chloro-4-methoxyphenyl)-5-[(4-fluorophenyl)methylamino]pyridine-2-carboxamide
CID 109189780

Frequently Asked Questions

What is the IUPAC name of 5-[(4-fluorophenyl)methylamino]-N,N-dimethylpyridine-2-carboxamide?
The IUPAC name of 5-[(4-fluorophenyl)methylamino]-N,N-dimethylpyridine-2-carboxamide (CID 12640237) is 5-[(4-fluorophenyl)methylamino]-N,N-dimethylpyridine-2-carboxamide.
What is the SMILES notation for 5-[(4-fluorophenyl)methylamino]-N,N-dimethylpyridine-2-carboxamide?
The canonical SMILES for 5-[(4-fluorophenyl)methylamino]-N,N-dimethylpyridine-2-carboxamide is CN(C)C(=O)c1ccc(NCc2ccc(F)cc2)cn1.
What is the InChIKey of 5-[(4-fluorophenyl)methylamino]-N,N-dimethylpyridine-2-carboxamide?
The InChIKey is LKESXHVDFZFZOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FN3O/c1-19(2)15(20)14-8-7-13(10-18-14)17-9-11-3-5-12(16)6-4-11/h3-8,10,17H,9H2,1-2H3.
What are the key properties of 5-[(4-fluorophenyl)methylamino]-N,N-dimethylpyridine-2-carboxamide?
5-[(4-fluorophenyl)methylamino]-N,N-dimethylpyridine-2-carboxamide has a molecular weight of 273.31 g/mol, XLogP of 2.53, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-fluorophenyl)methylamino]-N,N-dimethylpyridine-2-carboxamide is sourced from PubChem (CID 12640237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).