N-[3-(3-phenylpropoxy)phenyl]pyridine-4-carboxamide

C21H20N2O2 — CID 17133255

IUPACN-[3-(3-phenylpropoxy)phenyl]pyridine-4-carboxamide
SMILESO=C(Nc1cccc(OCCCc2ccccc2)c1)c1ccncc1
InChIInChI=1S/C21H20N2O2/c24-21(18-11-13-22-14-12-18)23-19-9-4-10-20(16-19)25-15-5-8-17-6-2-1-3-7-17/h1-4,6-7,9-14,16H,5,8,15H2,(H,23,24)
InChIKeySLUMCWBIPAQYAW-UHFFFAOYSA-N
MW332.40 g/mol
LogP4.35
Rot. Bonds7

About N-[3-(3-phenylpropoxy)phenyl]pyridine-4-carboxamide

N-[3-(3-phenylpropoxy)phenyl]pyridine-4-carboxamide (PubChem CID 17133255) has the molecular formula C21H20N2O2 and a molecular weight of 332.40 g/mol. Its IUPAC name is N-[3-(3-phenylpropoxy)phenyl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[3-(3-phenylpropoxy)phenyl]pyridine-4-carboxamide
PubChem CID17133255
Molecular FormulaC21H20N2O2
Molecular Weight332.40 g/mol
Exact Mass332.15
IUPAC NameN-[3-(3-phenylpropoxy)phenyl]pyridine-4-carboxamide
SMILESO=C(Nc1cccc(OCCCc2ccccc2)c1)c1ccncc1
InChIInChI=1S/C21H20N2O2/c24-21(18-11-13-22-14-12-18)23-19-9-4-10-20(16-19)25-15-5-8-17-6-2-1-3-7-17/h1-4,6-7,9-14,16H,5,8,15H2,(H,23,24)
InChIKeySLUMCWBIPAQYAW-UHFFFAOYSA-N
XLogP4.35
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[3-(3-phenylpropoxy)phenyl]pyridine-4-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

2-chloro-N-[3-(3-phenylpropoxy)phenyl]benzamide
CID 17133169
N-[3-(2-methoxyethoxy)phenyl]-4-(2-phenylethoxy)benzamide
CID 17169886
N-[3-(3-methoxypropoxy)phenyl]benzamide
CID 86997539
N-[4-(3-phenylpropoxy)phenyl]benzamide
CID 17130114
4-(2-phenoxyethoxy)-N-(3-phenylmethoxyphenyl)benzamide
CID 17086099
N-[3-(3-phenylpropanoylamino)phenyl]pyridine-4-carboxamide
CID 17222895
1-(3-chlorophenyl)-3-[3-(3-phenylpropoxy)phenyl]urea
CID 17133229
3-(2-phenylethoxy)-N-[[3-(3-phenylpropoxy)phenyl]carbamothioyl]benzamide
CID 17134789
1-(4-chlorophenyl)-3-[3-(3-phenylpropoxy)phenyl]urea
CID 17133168
2-(2-phenylethoxy)-N-[3-(2-phenylethoxy)phenyl]benzamide
CID 17142269
N-[3-[2-(methylamino)-2-oxoethoxy]phenyl]pyridine-4-carboxamide
CID 34273229
3-phenylpropyl 5-oxo-5-[3-(3-phenylpropoxy)anilino]pentanoate
CID 17133251

Frequently Asked Questions

What is the IUPAC name of N-[3-(3-phenylpropoxy)phenyl]pyridine-4-carboxamide?
The IUPAC name of N-[3-(3-phenylpropoxy)phenyl]pyridine-4-carboxamide (CID 17133255) is N-[3-(3-phenylpropoxy)phenyl]pyridine-4-carboxamide.
What is the SMILES notation for N-[3-(3-phenylpropoxy)phenyl]pyridine-4-carboxamide?
The canonical SMILES for N-[3-(3-phenylpropoxy)phenyl]pyridine-4-carboxamide is O=C(Nc1cccc(OCCCc2ccccc2)c1)c1ccncc1.
What is the InChIKey of N-[3-(3-phenylpropoxy)phenyl]pyridine-4-carboxamide?
The InChIKey is SLUMCWBIPAQYAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O2/c24-21(18-11-13-22-14-12-18)23-19-9-4-10-20(16-19)25-15-5-8-17-6-2-1-3-7-17/h1-4,6-7,9-14,16H,5,8,15H2,(H,23,24).
What are the key properties of N-[3-(3-phenylpropoxy)phenyl]pyridine-4-carboxamide?
N-[3-(3-phenylpropoxy)phenyl]pyridine-4-carboxamide has a molecular weight of 332.40 g/mol, XLogP of 4.35, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-phenylpropoxy)phenyl]pyridine-4-carboxamide is sourced from PubChem (CID 17133255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).