6-[(4-fluorophenyl)methylamino]-N,N-dimethylpyridine-3-carboxamide

C15H16FN3O — CID 78956311

IUPAC6-[(4-fluorophenyl)methylamino]-N,N-dimethylpyridine-3-carboxamide
SMILESCN(C)C(=O)c1ccc(NCc2ccc(F)cc2)nc1
InChIInChI=1S/C15H16FN3O/c1-19(2)15(20)12-5-8-14(18-10-12)17-9-11-3-6-13(16)7-4-11/h3-8,10H,9H2,1-2H3,(H,17,18)
InChIKeyPTCTVZMIZQMRON-UHFFFAOYSA-N
MW273.31 g/mol
LogP2.53
Rot. Bonds4

About 6-[(4-fluorophenyl)methylamino]-N,N-dimethylpyridine-3-carboxamide

6-[(4-fluorophenyl)methylamino]-N,N-dimethylpyridine-3-carboxamide (PubChem CID 78956311) has the molecular formula C15H16FN3O and a molecular weight of 273.31 g/mol. Its IUPAC name is 6-[(4-fluorophenyl)methylamino]-N,N-dimethylpyridine-3-carboxamide.

Molecular Properties

Compound Name6-[(4-fluorophenyl)methylamino]-N,N-dimethylpyridine-3-carboxamide
PubChem CID78956311
Molecular FormulaC15H16FN3O
Molecular Weight273.31 g/mol
Exact Mass273.13
IUPAC Name6-[(4-fluorophenyl)methylamino]-N,N-dimethylpyridine-3-carboxamide
SMILESCN(C)C(=O)c1ccc(NCc2ccc(F)cc2)nc1
InChIInChI=1S/C15H16FN3O/c1-19(2)15(20)12-5-8-14(18-10-12)17-9-11-3-6-13(16)7-4-11/h3-8,10H,9H2,1-2H3,(H,17,18)
InChIKeyPTCTVZMIZQMRON-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

6-[2-(4-fluorophenyl)ethylamino]-N,N-dimethylpyridine-3-carboxamide
CID 78956160
6-[(3-chloro-4-fluorophenyl)methylamino]-N,N-dimethylpyridine-3-carboxamide
CID 78956139
6-[(4-fluorophenyl)methylamino]-N-methyl-N-(2-pyridin-4-ylethyl)pyridine-3-carboxamide
CID 109156607
N-[4-(dimethylamino)phenyl]-6-[(4-fluorophenyl)methylamino]pyridine-3-carboxamide
CID 109156661
6-[(2-hydroxyphenyl)methylamino]-N,N-dimethylpyridine-3-carboxamide
CID 115898968
N-[(2-fluorophenyl)methyl]-6-[(4-fluorophenyl)methylamino]pyridine-3-carboxamide
CID 109156514
6-[(5-bromo-2-fluorophenyl)methylamino]-N,N-dimethylpyridine-3-carboxamide
CID 78956191
5-[(4-fluorophenyl)methylamino]-N,N-dimethylpyridine-2-carboxamide
CID 12640237
N,N-dimethyl-6-[(1-methyl-1,2,4-triazol-3-yl)methylamino]pyridine-3-carboxamide
CID 103883730
4-fluoro-N-[6-[(4-methylphenyl)methylamino]-3-pyridinyl]benzamide
CID 113011762
6-[(2-methoxyphenyl)methylamino]-N,N-dimethylpyridine-3-carboxamide
CID 78956159
N-[6-[(4-fluorophenyl)methylamino]-3-pyridinyl]-4-methylbenzamide
CID 113012110

Frequently Asked Questions

What is the IUPAC name of 6-[(4-fluorophenyl)methylamino]-N,N-dimethylpyridine-3-carboxamide?
The IUPAC name of 6-[(4-fluorophenyl)methylamino]-N,N-dimethylpyridine-3-carboxamide (CID 78956311) is 6-[(4-fluorophenyl)methylamino]-N,N-dimethylpyridine-3-carboxamide.
What is the SMILES notation for 6-[(4-fluorophenyl)methylamino]-N,N-dimethylpyridine-3-carboxamide?
The canonical SMILES for 6-[(4-fluorophenyl)methylamino]-N,N-dimethylpyridine-3-carboxamide is CN(C)C(=O)c1ccc(NCc2ccc(F)cc2)nc1.
What is the InChIKey of 6-[(4-fluorophenyl)methylamino]-N,N-dimethylpyridine-3-carboxamide?
The InChIKey is PTCTVZMIZQMRON-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FN3O/c1-19(2)15(20)12-5-8-14(18-10-12)17-9-11-3-6-13(16)7-4-11/h3-8,10H,9H2,1-2H3,(H,17,18).
What are the key properties of 6-[(4-fluorophenyl)methylamino]-N,N-dimethylpyridine-3-carboxamide?
6-[(4-fluorophenyl)methylamino]-N,N-dimethylpyridine-3-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 6-[(4-fluorophenyl)methylamino]-N,N-dimethylpyridine-3-carboxamide is sourced from PubChem (CID 78956311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).