N-(1-cyclopropylethyl)-6-[(3-fluorophenyl)methoxy]pyridine-3-carboxamide

C18H19FN2O2 — CID 76736087

IUPACN-(1-cyclopropylethyl)-6-[(3-fluorophenyl)methoxy]pyridine-3-carboxamide
SMILESCC(NC(=O)c1ccc(OCc2cccc(F)c2)nc1)C1CC1
InChIInChI=1S/C18H19FN2O2/c1-12(14-5-6-14)21-18(22)15-7-8-17(20-10-15)23-11-13-3-2-4-16(19)9-13/h2-4,7-10,12,14H,5-6,11H2,1H3,(H,21,22)
InChIKeyNKJCDRAOKGMIIY-UHFFFAOYSA-N
MW314.36 g/mol
LogP3.33
Rot. Bonds6

About N-(1-cyclopropylethyl)-6-[(3-fluorophenyl)methoxy]pyridine-3-carboxamide

N-(1-cyclopropylethyl)-6-[(3-fluorophenyl)methoxy]pyridine-3-carboxamide (PubChem CID 76736087) has the molecular formula C18H19FN2O2 and a molecular weight of 314.36 g/mol. Its IUPAC name is N-(1-cyclopropylethyl)-6-[(3-fluorophenyl)methoxy]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(1-cyclopropylethyl)-6-[(3-fluorophenyl)methoxy]pyridine-3-carboxamide
PubChem CID76736087
Molecular FormulaC18H19FN2O2
Molecular Weight314.36 g/mol
Exact Mass314.14
IUPAC NameN-(1-cyclopropylethyl)-6-[(3-fluorophenyl)methoxy]pyridine-3-carboxamide
SMILESCC(NC(=O)c1ccc(OCc2cccc(F)c2)nc1)C1CC1
InChIInChI=1S/C18H19FN2O2/c1-12(14-5-6-14)21-18(22)15-7-8-17(20-10-15)23-11-13-3-2-4-16(19)9-13/h2-4,7-10,12,14H,5-6,11H2,1H3,(H,21,22)
InChIKeyNKJCDRAOKGMIIY-UHFFFAOYSA-N
XLogP3.33
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.36
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1R)-1-cyclobutylethyl]-6-[(3-fluorophenyl)methoxy]pyridine-3-carboxamide
CID 58368103
N-[(1R)-1-(2,2-dimethyloxan-4-yl)ethyl]-6-[(3-fluorophenyl)methoxy]pyridine-3-carboxamide
CID 58368082
6-[(3-fluorophenyl)methoxy]-N-[1-(oxan-2-yl)ethyl]pyridine-3-carboxamide
CID 58368122
6-[(3-fluorophenyl)methoxy]-N-[(2S)-3-hydroxy-3-methylbutan-2-yl]pyridine-3-carboxamide
CID 58368200
6-[(3-fluorophenyl)methoxy]-N-[1-(iodoamino)-1-oxopropan-2-yl]pyridine-3-carboxamide
CID 87552135
N-[(1R)-1-cyclohexylethyl]-6-[(3-fluorophenyl)methoxy]-5-methylpyridine-3-carboxamide
CID 58368095
N-(3-fluorophenyl)-6-[(3-fluorophenyl)methoxy]pyridine-3-carboxamide
CID 58368181
N-[(1S)-2,2-dimethylcyclopentyl]-6-[(3-fluorophenyl)methoxy]pyridine-3-carboxamide
CID 58368249
N-(2-amino-2-oxoethyl)-6-[(3-fluorophenyl)methoxy]pyridine-3-carboxamide
CID 10286337
N-(1-cyclohexylethyl)-6-[(3-fluorophenoxy)methyl]pyridine-3-carboxamide
CID 58533707
N-cyclobutyl-6-[(3-methylphenyl)methoxy]pyridine-3-carboxamide
CID 58368099
3-cyclopropyl-2-[(6-phenylmethoxypyridine-3-carbonyl)amino]propanoic acid
CID 120535706

Frequently Asked Questions

What is the IUPAC name of N-(1-cyclopropylethyl)-6-[(3-fluorophenyl)methoxy]pyridine-3-carboxamide?
The IUPAC name of N-(1-cyclopropylethyl)-6-[(3-fluorophenyl)methoxy]pyridine-3-carboxamide (CID 76736087) is N-(1-cyclopropylethyl)-6-[(3-fluorophenyl)methoxy]pyridine-3-carboxamide.
What is the SMILES notation for N-(1-cyclopropylethyl)-6-[(3-fluorophenyl)methoxy]pyridine-3-carboxamide?
The canonical SMILES for N-(1-cyclopropylethyl)-6-[(3-fluorophenyl)methoxy]pyridine-3-carboxamide is CC(NC(=O)c1ccc(OCc2cccc(F)c2)nc1)C1CC1.
What is the InChIKey of N-(1-cyclopropylethyl)-6-[(3-fluorophenyl)methoxy]pyridine-3-carboxamide?
The InChIKey is NKJCDRAOKGMIIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN2O2/c1-12(14-5-6-14)21-18(22)15-7-8-17(20-10-15)23-11-13-3-2-4-16(19)9-13/h2-4,7-10,12,14H,5-6,11H2,1H3,(H,21,22).
What are the key properties of N-(1-cyclopropylethyl)-6-[(3-fluorophenyl)methoxy]pyridine-3-carboxamide?
N-(1-cyclopropylethyl)-6-[(3-fluorophenyl)methoxy]pyridine-3-carboxamide has a molecular weight of 314.36 g/mol, XLogP of 3.33, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclopropylethyl)-6-[(3-fluorophenyl)methoxy]pyridine-3-carboxamide is sourced from PubChem (CID 76736087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).