N-[(4-fluorophenyl)methyl]-4-(methylamino)pyridine-3-carboxamide

C14H14FN3O — CID 81236247

IUPACN-[(4-fluorophenyl)methyl]-4-(methylamino)pyridine-3-carboxamide
SMILESCNc1ccncc1C(=O)NCc1ccc(F)cc1
InChIInChI=1S/C14H14FN3O/c1-16-13-6-7-17-9-12(13)14(19)18-8-10-2-4-11(15)5-3-10/h2-7,9H,8H2,1H3,(H,16,17)(H,18,19)
InChIKeyKZOHLFJZVUSYLT-UHFFFAOYSA-N
MW259.28 g/mol
LogP2.19
Rot. Bonds4

About N-[(4-fluorophenyl)methyl]-4-(methylamino)pyridine-3-carboxamide

N-[(4-fluorophenyl)methyl]-4-(methylamino)pyridine-3-carboxamide (PubChem CID 81236247) has the molecular formula C14H14FN3O and a molecular weight of 259.28 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-4-(methylamino)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-4-(methylamino)pyridine-3-carboxamide
PubChem CID81236247
Molecular FormulaC14H14FN3O
Molecular Weight259.28 g/mol
Exact Mass259.11
IUPAC NameN-[(4-fluorophenyl)methyl]-4-(methylamino)pyridine-3-carboxamide
SMILESCNc1ccncc1C(=O)NCc1ccc(F)cc1
InChIInChI=1S/C14H14FN3O/c1-16-13-6-7-17-9-12(13)14(19)18-8-10-2-4-11(15)5-3-10/h2-7,9H,8H2,1H3,(H,16,17)(H,18,19)
InChIKeyKZOHLFJZVUSYLT-UHFFFAOYSA-N
XLogP2.19
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.28
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-chloro-4-fluorophenyl)methyl]-4-(methylamino)pyridine-3-carboxamide
CID 81240302
3-(methylamino)-N-[(4-propan-2-ylphenyl)methyl]pyridine-4-carboxamide
CID 105069426
N-[(4-fluorophenyl)methyl]-4-propoxypyridine-3-carboxamide
CID 125490188
N-[(2-ethylphenyl)methyl]-4-(methylamino)pyridine-3-carboxamide
CID 81245012
4-[(4-fluorophenyl)methylamino]pyridine-3-carboxylic acid
CID 81233465
4-(methylamino)-N-(2-pyridin-4-ylethyl)pyridine-3-carboxamide
CID 81242442
N-(5-fluoro-2-pyridinyl)-4-(methylamino)pyridine-3-carboxamide
CID 81245310
4-(methylamino)-N-(pyridazin-3-ylmethyl)pyridine-3-carboxamide
CID 106897669
N-[(2-chlorophenyl)methyl]-4-(methylamino)pyridine-3-carboxamide
CID 81234516
3-fluoro-N-[[4-(methylcarbamoyl)phenyl]methyl]pyridine-4-carboxamide
CID 115645741
4-(methylamino)-N-[(2-methylpyrimidin-4-yl)methyl]pyridine-3-carboxamide
CID 81243134
3-(3-aminoprop-1-ynyl)-N-[(4-fluorophenyl)methyl]pyridine-4-carboxamide
CID 66483281

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-4-(methylamino)pyridine-3-carboxamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-4-(methylamino)pyridine-3-carboxamide (CID 81236247) is N-[(4-fluorophenyl)methyl]-4-(methylamino)pyridine-3-carboxamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-4-(methylamino)pyridine-3-carboxamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-4-(methylamino)pyridine-3-carboxamide is CNc1ccncc1C(=O)NCc1ccc(F)cc1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-4-(methylamino)pyridine-3-carboxamide?
The InChIKey is KZOHLFJZVUSYLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FN3O/c1-16-13-6-7-17-9-12(13)14(19)18-8-10-2-4-11(15)5-3-10/h2-7,9H,8H2,1H3,(H,16,17)(H,18,19).
What are the key properties of N-[(4-fluorophenyl)methyl]-4-(methylamino)pyridine-3-carboxamide?
N-[(4-fluorophenyl)methyl]-4-(methylamino)pyridine-3-carboxamide has a molecular weight of 259.28 g/mol, XLogP of 2.19, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-4-(methylamino)pyridine-3-carboxamide is sourced from PubChem (CID 81236247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).