2-fluoro-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]pyridine-3-carboxamide

C15H14F2N2O2 — CID 107358477

IUPAC2-fluoro-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]pyridine-3-carboxamide
SMILESCOc1ccc(C(C)NC(=O)c2cccnc2F)cc1F
InChIInChI=1S/C15H14F2N2O2/c1-9(10-5-6-13(21-2)12(16)8-10)19-15(20)11-4-3-7-18-14(11)17/h3-9H,1-2H3,(H,19,20)
InChIKeyACKQIAGVFWXUFR-UHFFFAOYSA-N
MW292.29 g/mol
LogP2.86
Rot. Bonds4

About 2-fluoro-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]pyridine-3-carboxamide

2-fluoro-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]pyridine-3-carboxamide (PubChem CID 107358477) has the molecular formula C15H14F2N2O2 and a molecular weight of 292.29 g/mol. Its IUPAC name is 2-fluoro-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-fluoro-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]pyridine-3-carboxamide
PubChem CID107358477
Molecular FormulaC15H14F2N2O2
Molecular Weight292.29 g/mol
Exact Mass292.10
IUPAC Name2-fluoro-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]pyridine-3-carboxamide
SMILESCOc1ccc(C(C)NC(=O)c2cccnc2F)cc1F
InChIInChI=1S/C15H14F2N2O2/c1-9(10-5-6-13(21-2)12(16)8-10)19-15(20)11-4-3-7-18-14(11)17/h3-9H,1-2H3,(H,19,20)
InChIKeyACKQIAGVFWXUFR-UHFFFAOYSA-N
XLogP2.86
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.29
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

3-amino-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]pyridine-2-carboxamide
CID 104741328
N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]pyridine-3-carboxamide
CID 46523496
N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-2-[methyl(methylsulfonyl)amino]benzamide
CID 18153166
N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-3,4,5-trimethoxybenzamide
CID 46655748
4-chloro-N-[(1S)-1-(3-fluoro-4-methoxyphenyl)ethyl]benzamide
CID 9051353
2-fluoro-N-propan-2-ylpyridine-3-carboxamide
CID 83404912
2,4-dichloro-5-fluoro-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]benzamide
CID 18275060
2,4-dichloro-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]benzamide
CID 16574257
4-chloro-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]pyridine-2-carboxamide
CID 46828541
N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-2-pyridin-2-ylacetamide
CID 56704438
2-bromo-N-[(1S)-1-(3,4-difluorophenyl)ethyl]pyridine-3-carboxamide
CID 86669507
N-[(1R)-1-(3-fluoro-4-methoxyphenyl)ethyl]-1,2-dimethylpyrrole-3-carboxamide
CID 124628027

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]pyridine-3-carboxamide?
The IUPAC name of 2-fluoro-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]pyridine-3-carboxamide (CID 107358477) is 2-fluoro-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]pyridine-3-carboxamide.
What is the SMILES notation for 2-fluoro-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]pyridine-3-carboxamide?
The canonical SMILES for 2-fluoro-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]pyridine-3-carboxamide is COc1ccc(C(C)NC(=O)c2cccnc2F)cc1F.
What is the InChIKey of 2-fluoro-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]pyridine-3-carboxamide?
The InChIKey is ACKQIAGVFWXUFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F2N2O2/c1-9(10-5-6-13(21-2)12(16)8-10)19-15(20)11-4-3-7-18-14(11)17/h3-9H,1-2H3,(H,19,20).
What are the key properties of 2-fluoro-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]pyridine-3-carboxamide?
2-fluoro-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]pyridine-3-carboxamide has a molecular weight of 292.29 g/mol, XLogP of 2.86, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]pyridine-3-carboxamide is sourced from PubChem (CID 107358477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).