5-chloro-N-ethyl-N-[(3-fluorophenyl)methyl]-2-methoxypyridine-3-carboxamide

C16H16ClFN2O2 — CID 171547530

IUPAC5-chloro-N-ethyl-N-[(3-fluorophenyl)methyl]-2-methoxypyridine-3-carboxamide
SMILESCCN(Cc1cccc(F)c1)C(=O)c1cc(Cl)cnc1OC
InChIInChI=1S/C16H16ClFN2O2/c1-3-20(10-11-5-4-6-13(18)7-11)16(21)14-8-12(17)9-19-15(14)22-2/h4-9H,3,10H2,1-2H3
InChIKeyVENUPEBMEZUDBX-UHFFFAOYSA-N
MW322.77 g/mol
LogP3.55
Rot. Bonds5

About 5-chloro-N-ethyl-N-[(3-fluorophenyl)methyl]-2-methoxypyridine-3-carboxamide

5-chloro-N-ethyl-N-[(3-fluorophenyl)methyl]-2-methoxypyridine-3-carboxamide (PubChem CID 171547530) has the molecular formula C16H16ClFN2O2 and a molecular weight of 322.77 g/mol. Its IUPAC name is 5-chloro-N-ethyl-N-[(3-fluorophenyl)methyl]-2-methoxypyridine-3-carboxamide.

Molecular Properties

Compound Name5-chloro-N-ethyl-N-[(3-fluorophenyl)methyl]-2-methoxypyridine-3-carboxamide
PubChem CID171547530
Molecular FormulaC16H16ClFN2O2
Molecular Weight322.77 g/mol
Exact Mass322.09
IUPAC Name5-chloro-N-ethyl-N-[(3-fluorophenyl)methyl]-2-methoxypyridine-3-carboxamide
SMILESCCN(Cc1cccc(F)c1)C(=O)c1cc(Cl)cnc1OC
InChIInChI=1S/C16H16ClFN2O2/c1-3-20(10-11-5-4-6-13(18)7-11)16(21)14-8-12(17)9-19-15(14)22-2/h4-9H,3,10H2,1-2H3
InChIKeyVENUPEBMEZUDBX-UHFFFAOYSA-N
XLogP3.55
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.77
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 5-chloro-N-ethyl-N-[(3-fluorophenyl)methyl]-2-methoxypyridine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-chloro-N-ethyl-N-[(3-fluorophenyl)methyl]-1,3,4-thiadiazole-2-carboxamide
CID 80624921
N-ethyl-N-[(3-fluorophenyl)methyl]-3-methoxybenzamide
CID 78800954
2-bromo-N-ethyl-N-[(3-fluorophenyl)methyl]benzamide
CID 60655580
N-[(3-chlorophenyl)methyl]-N-ethyl-2-fluoropyridine-3-carboxamide
CID 107358643
5-chloro-N-[(2,6-dichlorophenyl)methyl]-2-methoxy-N-methylpyridine-3-carboxamide
CID 171547538
N-ethyl-N-[(3-fluorophenyl)methyl]-2H-triazole-4-carboxamide
CID 47335109
N-ethyl-1-(2-fluorophenyl)-N-[(3-fluorophenyl)methyl]-5-methylpyrazole-4-carboxamide
CID 55521664
2-chloro-N-ethyl-N-[(3-fluorophenyl)methyl]acetamide
CID 9317159
4-bromo-3-chloro-N-ethyl-N-[(3-fluorophenyl)methyl]benzamide
CID 81294804
3-bromo-N-ethyl-N-[(3-fluorophenyl)methyl]pyridine-2-carboxamide
CID 107518452
N-ethyl-N-[(3-fluorophenyl)methyl]-2-phenyl-1,3-thiazole-5-carboxamide
CID 46471508
4-(2-amino-2-oxoethoxy)-N-ethyl-N-[(3-fluorophenyl)methyl]-3-methoxybenzamide
CID 47011435

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-ethyl-N-[(3-fluorophenyl)methyl]-2-methoxypyridine-3-carboxamide?
The IUPAC name of 5-chloro-N-ethyl-N-[(3-fluorophenyl)methyl]-2-methoxypyridine-3-carboxamide (CID 171547530) is 5-chloro-N-ethyl-N-[(3-fluorophenyl)methyl]-2-methoxypyridine-3-carboxamide.
What is the SMILES notation for 5-chloro-N-ethyl-N-[(3-fluorophenyl)methyl]-2-methoxypyridine-3-carboxamide?
The canonical SMILES for 5-chloro-N-ethyl-N-[(3-fluorophenyl)methyl]-2-methoxypyridine-3-carboxamide is CCN(Cc1cccc(F)c1)C(=O)c1cc(Cl)cnc1OC.
What is the InChIKey of 5-chloro-N-ethyl-N-[(3-fluorophenyl)methyl]-2-methoxypyridine-3-carboxamide?
The InChIKey is VENUPEBMEZUDBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClFN2O2/c1-3-20(10-11-5-4-6-13(18)7-11)16(21)14-8-12(17)9-19-15(14)22-2/h4-9H,3,10H2,1-2H3.
What are the key properties of 5-chloro-N-ethyl-N-[(3-fluorophenyl)methyl]-2-methoxypyridine-3-carboxamide?
5-chloro-N-ethyl-N-[(3-fluorophenyl)methyl]-2-methoxypyridine-3-carboxamide has a molecular weight of 322.77 g/mol, XLogP of 3.55, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-ethyl-N-[(3-fluorophenyl)methyl]-2-methoxypyridine-3-carboxamide is sourced from PubChem (CID 171547530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).