N-[4-[(cyclopropylamino)methyl]phenyl]-5-fluoropyridine-2-carboxamide

C16H16FN3O — CID 106910526

IUPACN-[4-[(cyclopropylamino)methyl]phenyl]-5-fluoropyridine-2-carboxamide
SMILESO=C(Nc1ccc(CNC2CC2)cc1)c1ccc(F)cn1
InChIInChI=1S/C16H16FN3O/c17-12-3-8-15(19-10-12)16(21)20-14-4-1-11(2-5-14)9-18-13-6-7-13/h1-5,8,10,13,18H,6-7,9H2,(H,20,21)
InChIKeyLHGVGTNHHLRLOX-UHFFFAOYSA-N
MW285.32 g/mol
LogP2.72
Rot. Bonds5

About N-[4-[(cyclopropylamino)methyl]phenyl]-5-fluoropyridine-2-carboxamide

N-[4-[(cyclopropylamino)methyl]phenyl]-5-fluoropyridine-2-carboxamide (PubChem CID 106910526) has the molecular formula C16H16FN3O and a molecular weight of 285.32 g/mol. Its IUPAC name is N-[4-[(cyclopropylamino)methyl]phenyl]-5-fluoropyridine-2-carboxamide.

Molecular Properties

Compound NameN-[4-[(cyclopropylamino)methyl]phenyl]-5-fluoropyridine-2-carboxamide
PubChem CID106910526
Molecular FormulaC16H16FN3O
Molecular Weight285.32 g/mol
Exact Mass285.13
IUPAC NameN-[4-[(cyclopropylamino)methyl]phenyl]-5-fluoropyridine-2-carboxamide
SMILESO=C(Nc1ccc(CNC2CC2)cc1)c1ccc(F)cn1
InChIInChI=1S/C16H16FN3O/c17-12-3-8-15(19-10-12)16(21)20-14-4-1-11(2-5-14)9-18-13-6-7-13/h1-5,8,10,13,18H,6-7,9H2,(H,20,21)
InChIKeyLHGVGTNHHLRLOX-UHFFFAOYSA-N
XLogP2.72
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.32
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[4-[(5-fluoropyridine-2-carbonyl)amino]phenyl]propanoic acid
CID 104638373
N-(4-fluorophenyl)-5-(hydroxymethyl)pyridine-2-carboxamide
CID 45086782
5-fluoro-N-[4-(2-pyrrolidin-2-ylethyl)phenyl]pyridine-2-carboxamide
CID 58315768
N-(4-fluorophenyl)-5-(pyridin-4-ylmethylamino)pyridine-2-carboxamide
CID 109191663
N-[4-[(2E)-2-amino-2-hydroxyiminoethyl]phenyl]-5-fluoropyridine-2-carboxamide
CID 104639473
N-[4-(dimethylamino)phenyl]-5-[(4-fluorophenyl)methylamino]pyridine-2-carboxamide
CID 109189803
N-[4-[(cyclopropylamino)methyl]phenyl]-3-methylpyridine-2-carboxamide
CID 106910544
N-[[4-(bromomethyl)phenyl]methyl]-5-fluoropyridine-2-carboxamide
CID 107233891
N-[(4-aminophenyl)methyl]-5-fluoropyridine-2-carboxamide
CID 113435772
5-[2-(4-fluorophenyl)ethylamino]-N-phenylpyridine-2-carboxamide
CID 109192413
N-cyclohexyl-5-[2-(4-fluorophenyl)ethylamino]pyridine-2-carboxamide
CID 109182937
4-[[(5-fluoropyridine-2-carbonyl)amino]methyl]benzoic acid
CID 104638128

Frequently Asked Questions

What is the IUPAC name of N-[4-[(cyclopropylamino)methyl]phenyl]-5-fluoropyridine-2-carboxamide?
The IUPAC name of N-[4-[(cyclopropylamino)methyl]phenyl]-5-fluoropyridine-2-carboxamide (CID 106910526) is N-[4-[(cyclopropylamino)methyl]phenyl]-5-fluoropyridine-2-carboxamide.
What is the SMILES notation for N-[4-[(cyclopropylamino)methyl]phenyl]-5-fluoropyridine-2-carboxamide?
The canonical SMILES for N-[4-[(cyclopropylamino)methyl]phenyl]-5-fluoropyridine-2-carboxamide is O=C(Nc1ccc(CNC2CC2)cc1)c1ccc(F)cn1.
What is the InChIKey of N-[4-[(cyclopropylamino)methyl]phenyl]-5-fluoropyridine-2-carboxamide?
The InChIKey is LHGVGTNHHLRLOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FN3O/c17-12-3-8-15(19-10-12)16(21)20-14-4-1-11(2-5-14)9-18-13-6-7-13/h1-5,8,10,13,18H,6-7,9H2,(H,20,21).
What are the key properties of N-[4-[(cyclopropylamino)methyl]phenyl]-5-fluoropyridine-2-carboxamide?
N-[4-[(cyclopropylamino)methyl]phenyl]-5-fluoropyridine-2-carboxamide has a molecular weight of 285.32 g/mol, XLogP of 2.72, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(cyclopropylamino)methyl]phenyl]-5-fluoropyridine-2-carboxamide is sourced from PubChem (CID 106910526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).