N-[(4-ethoxy-3-fluorophenyl)methyl]pyridine-2-carboxamide

C15H15FN2O2 — CID 110793966

IUPACN-[(4-ethoxy-3-fluorophenyl)methyl]pyridine-2-carboxamide
SMILESCCOc1ccc(CNC(=O)c2ccccn2)cc1F
InChIInChI=1S/C15H15FN2O2/c1-2-20-14-7-6-11(9-12(14)16)10-18-15(19)13-5-3-4-8-17-13/h3-9H,2,10H2,1H3,(H,18,19)
InChIKeyTWPJHZNRYOKEDX-UHFFFAOYSA-N
MW274.29 g/mol
LogP2.55
Rot. Bonds5

About N-[(4-ethoxy-3-fluorophenyl)methyl]pyridine-2-carboxamide

N-[(4-ethoxy-3-fluorophenyl)methyl]pyridine-2-carboxamide (PubChem CID 110793966) has the molecular formula C15H15FN2O2 and a molecular weight of 274.29 g/mol. Its IUPAC name is N-[(4-ethoxy-3-fluorophenyl)methyl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(4-ethoxy-3-fluorophenyl)methyl]pyridine-2-carboxamide
PubChem CID110793966
Molecular FormulaC15H15FN2O2
Molecular Weight274.29 g/mol
Exact Mass274.11
IUPAC NameN-[(4-ethoxy-3-fluorophenyl)methyl]pyridine-2-carboxamide
SMILESCCOc1ccc(CNC(=O)c2ccccn2)cc1F
InChIInChI=1S/C15H15FN2O2/c1-2-20-14-7-6-11(9-12(14)16)10-18-15(19)13-5-3-4-8-17-13/h3-9H,2,10H2,1H3,(H,18,19)
InChIKeyTWPJHZNRYOKEDX-UHFFFAOYSA-N
XLogP2.55
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.29
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(4-ethoxy-3-fluorophenyl)methyl]-3-propylurea
CID 110775057
2-amino-N-[(4-ethoxy-3-fluorophenyl)methyl]propanamide
CID 115152372
4-[(4-ethoxy-3-fluorophenyl)methylamino]-4-oxobutanoic acid
CID 98033360
1-[(4-ethoxy-3-fluorophenyl)methyl]-3-(4-hydroxy-2,2-dimethylbutyl)urea
CID 111506012
N-(3,4-diethoxyphenyl)pyridine-2-carboxamide
CID 17411866
N-[(3,5-dimethoxyphenyl)methyl]pyridine-2-carboxamide
CID 47024016
(E)-4-[(4-ethoxy-3-fluorophenyl)methylamino]-4-oxobut-2-enoic acid
CID 115177207
1-[(4-ethoxy-3-fluorophenyl)methyl]-3-[(2-methylpyrimidin-4-yl)methyl]urea
CID 56781467
N-[(4-ethylsulfonylphenyl)methyl]pyridine-2-carboxamide
CID 110794533
N-[[4-(2-methoxyethoxy)phenyl]methyl]pyridine-2-carboxamide
CID 110793787
N-[[3-methoxy-4-(pyridin-3-ylmethoxy)phenyl]methyl]pyridine-2-carboxamide
CID 38934279
N-[[4-(methylcarbamoyl)phenyl]methyl]pyridine-2-carboxamide
CID 47160867

Frequently Asked Questions

What is the IUPAC name of N-[(4-ethoxy-3-fluorophenyl)methyl]pyridine-2-carboxamide?
The IUPAC name of N-[(4-ethoxy-3-fluorophenyl)methyl]pyridine-2-carboxamide (CID 110793966) is N-[(4-ethoxy-3-fluorophenyl)methyl]pyridine-2-carboxamide.
What is the SMILES notation for N-[(4-ethoxy-3-fluorophenyl)methyl]pyridine-2-carboxamide?
The canonical SMILES for N-[(4-ethoxy-3-fluorophenyl)methyl]pyridine-2-carboxamide is CCOc1ccc(CNC(=O)c2ccccn2)cc1F.
What is the InChIKey of N-[(4-ethoxy-3-fluorophenyl)methyl]pyridine-2-carboxamide?
The InChIKey is TWPJHZNRYOKEDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN2O2/c1-2-20-14-7-6-11(9-12(14)16)10-18-15(19)13-5-3-4-8-17-13/h3-9H,2,10H2,1H3,(H,18,19).
What are the key properties of N-[(4-ethoxy-3-fluorophenyl)methyl]pyridine-2-carboxamide?
N-[(4-ethoxy-3-fluorophenyl)methyl]pyridine-2-carboxamide has a molecular weight of 274.29 g/mol, XLogP of 2.55, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethoxy-3-fluorophenyl)methyl]pyridine-2-carboxamide is sourced from PubChem (CID 110793966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).