6-oxo-N-[3-(4-phenylmethoxyphenyl)propyl]-1H-pyridine-3-carboxamide

C22H22N2O3 — CID 110612295

IUPAC6-oxo-N-[3-(4-phenylmethoxyphenyl)propyl]-1H-pyridine-3-carboxamide
SMILESO=C(NCCCc1ccc(OCc2ccccc2)cc1)c1ccc(=O)[nH]c1
InChIInChI=1S/C22H22N2O3/c25-21-13-10-19(15-24-21)22(26)23-14-4-7-17-8-11-20(12-9-17)27-16-18-5-2-1-3-6-18/h1-3,5-6,8-13,15H,4,7,14,16H2,(H,23,26)(H,24,25)
InChIKeyODSPIPZJDAVPLF-UHFFFAOYSA-N
MW362.43 g/mol
LogP3.32
Rot. Bonds8

About 6-oxo-N-[3-(4-phenylmethoxyphenyl)propyl]-1H-pyridine-3-carboxamide

6-oxo-N-[3-(4-phenylmethoxyphenyl)propyl]-1H-pyridine-3-carboxamide (PubChem CID 110612295) has the molecular formula C22H22N2O3 and a molecular weight of 362.43 g/mol. Its IUPAC name is 6-oxo-N-[3-(4-phenylmethoxyphenyl)propyl]-1H-pyridine-3-carboxamide.

Molecular Properties

Compound Name6-oxo-N-[3-(4-phenylmethoxyphenyl)propyl]-1H-pyridine-3-carboxamide
PubChem CID110612295
Molecular FormulaC22H22N2O3
Molecular Weight362.43 g/mol
Exact Mass362.16
IUPAC Name6-oxo-N-[3-(4-phenylmethoxyphenyl)propyl]-1H-pyridine-3-carboxamide
SMILESO=C(NCCCc1ccc(OCc2ccccc2)cc1)c1ccc(=O)[nH]c1
InChIInChI=1S/C22H22N2O3/c25-21-13-10-19(15-24-21)22(26)23-14-4-7-17-8-11-20(12-9-17)27-16-18-5-2-1-3-6-18/h1-3,5-6,8-13,15H,4,7,14,16H2,(H,23,26)(H,24,25)
InChIKeyODSPIPZJDAVPLF-UHFFFAOYSA-N
XLogP3.32
TPSA71.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 6-oxo-N-[3-(4-phenylmethoxyphenyl)propyl]-1H-pyridine-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

6-oxo-N-(2-phenylethyl)-1H-pyridine-3-carboxamide
CID 2090847
3-[[4-[6-(4-phenylmethoxyphenoxy)hexyl]benzoyl]amino]propanoic acid
CID 67485301
1-(2-methoxyethyl)-3-[3-(4-phenylmethoxyphenyl)propyl]urea
CID 110421761
N-(2-hydroxyethyl)-4-phenylmethoxybenzamide
CID 10825986
N-(3-anilinopropyl)-4-phenylmethoxybenzamide
CID 56586584
methyl 3-[[4-[6-(4-phenylmethoxyphenoxy)hexyl]benzoyl]amino]propanoate
CID 67485483
N-(2-aminoethyl)-4-phenylmethoxybenzamide
CID 13064036
4-phenylmethoxy-N-propylbenzamide
CID 4958389
N-[2-(4-tert-butylphenyl)ethyl]-4-(4-phenylmethoxyphenyl)benzamide
CID 139904878
4-(acetamidomethyl)-N-[4-(4-phenylmethoxyphenoxy)butyl]benzamide
CID 24672965
2-oxo-N-[2-(4-phenylmethoxyphenyl)ethyl]-3,4-dihydro-1H-quinoline-6-carboxamide
CID 47043404
2-(phenoxymethyl)-N-(3-phenylpropyl)benzamide
CID 32979372

Frequently Asked Questions

What is the IUPAC name of 6-oxo-N-[3-(4-phenylmethoxyphenyl)propyl]-1H-pyridine-3-carboxamide?
The IUPAC name of 6-oxo-N-[3-(4-phenylmethoxyphenyl)propyl]-1H-pyridine-3-carboxamide (CID 110612295) is 6-oxo-N-[3-(4-phenylmethoxyphenyl)propyl]-1H-pyridine-3-carboxamide.
What is the SMILES notation for 6-oxo-N-[3-(4-phenylmethoxyphenyl)propyl]-1H-pyridine-3-carboxamide?
The canonical SMILES for 6-oxo-N-[3-(4-phenylmethoxyphenyl)propyl]-1H-pyridine-3-carboxamide is O=C(NCCCc1ccc(OCc2ccccc2)cc1)c1ccc(=O)[nH]c1.
What is the InChIKey of 6-oxo-N-[3-(4-phenylmethoxyphenyl)propyl]-1H-pyridine-3-carboxamide?
The InChIKey is ODSPIPZJDAVPLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O3/c25-21-13-10-19(15-24-21)22(26)23-14-4-7-17-8-11-20(12-9-17)27-16-18-5-2-1-3-6-18/h1-3,5-6,8-13,15H,4,7,14,16H2,(H,23,26)(H,24,25).
What are the key properties of 6-oxo-N-[3-(4-phenylmethoxyphenyl)propyl]-1H-pyridine-3-carboxamide?
6-oxo-N-[3-(4-phenylmethoxyphenyl)propyl]-1H-pyridine-3-carboxamide has a molecular weight of 362.43 g/mol, XLogP of 3.32, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxo-N-[3-(4-phenylmethoxyphenyl)propyl]-1H-pyridine-3-carboxamide is sourced from PubChem (CID 110612295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).