N-benzyl-4-oxo-2,6-dipentyl-N-phenyl-1H-pyridine-3-carboxamide

C29H36N2O2 — CID 70357969

IUPACN-benzyl-4-oxo-2,6-dipentyl-N-phenyl-1H-pyridine-3-carboxamide
SMILESCCCCCc1cc(=O)c(C(=O)N(Cc2ccccc2)c2ccccc2)c(CCCCC)[nH]1
InChIInChI=1S/C29H36N2O2/c1-3-5-9-17-24-21-27(32)28(26(30-24)20-10-6-4-2)29(33)31(25-18-13-8-14-19-25)22-23-15-11-7-12-16-23/h7-8,11-16,18-19,21H,3-6,9-10,17,20,22H2,1-2H3,(H,30,32)
InChIKeyWAGJUUASKSGFMI-UHFFFAOYSA-N
MW444.62 g/mol
LogP6.69
Rot. Bonds12

About N-benzyl-4-oxo-2,6-dipentyl-N-phenyl-1H-pyridine-3-carboxamide

N-benzyl-4-oxo-2,6-dipentyl-N-phenyl-1H-pyridine-3-carboxamide (PubChem CID 70357969) has the molecular formula C29H36N2O2 and a molecular weight of 444.62 g/mol. Its IUPAC name is N-benzyl-4-oxo-2,6-dipentyl-N-phenyl-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-benzyl-4-oxo-2,6-dipentyl-N-phenyl-1H-pyridine-3-carboxamide
PubChem CID70357969
Molecular FormulaC29H36N2O2
Molecular Weight444.62 g/mol
Exact Mass444.28
IUPAC NameN-benzyl-4-oxo-2,6-dipentyl-N-phenyl-1H-pyridine-3-carboxamide
SMILESCCCCCc1cc(=O)c(C(=O)N(Cc2ccccc2)c2ccccc2)c(CCCCC)[nH]1
InChIInChI=1S/C29H36N2O2/c1-3-5-9-17-24-21-27(32)28(26(30-24)20-10-6-4-2)29(33)31(25-18-13-8-14-19-25)22-23-15-11-7-12-16-23/h7-8,11-16,18-19,21H,3-6,9-10,17,20,22H2,1-2H3,(H,30,32)
InChIKeyWAGJUUASKSGFMI-UHFFFAOYSA-N
XLogP6.69
TPSA53.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.62
LogP ≤ 56.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-benzyl-4-oxo-2,6-dipentyl-N-phenyl-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

N-benzyl-2-butyl-6-methyl-N-(2-methylphenyl)-4-oxo-1H-pyridine-3-carboxamide
CID 70357963
N-benzyl-6-methyl-2-(3-methylphenyl)-4-oxo-N-phenyl-1H-pyridine-3-carboxamide
CID 70357885
N-benzyl-N-(2-chlorophenyl)-6-ethyl-2-methyl-4-oxo-1H-pyridine-3-carboxamide
CID 70357942
2,5-dioctyl-3-phenyl-1H-pyrrole
CID 174734668
N'-benzyl-N-pentyl-N'-phenylpropanediamide
CID 108951958
N-benzyl-N-(4-octylphenyl)prop-2-enamide
CID 156703845
2-heptyl-1H-quinolin-4-one
CID 172676764
2-heptyl-1H-quinolin-4-one
CID 172676765
carbonic acid;pentylbenzene
CID 157127683
octyl(phenyl)carbamic acid
CID 54301990
N-benzyl-2,4-dioxo-N-phenyl-1H-pyrimidine-5-carboxamide
CID 110862606
N-hexyl-N-phenylacetamide
CID 13217997

Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-oxo-2,6-dipentyl-N-phenyl-1H-pyridine-3-carboxamide?
The IUPAC name of N-benzyl-4-oxo-2,6-dipentyl-N-phenyl-1H-pyridine-3-carboxamide (CID 70357969) is N-benzyl-4-oxo-2,6-dipentyl-N-phenyl-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-benzyl-4-oxo-2,6-dipentyl-N-phenyl-1H-pyridine-3-carboxamide?
The canonical SMILES for N-benzyl-4-oxo-2,6-dipentyl-N-phenyl-1H-pyridine-3-carboxamide is CCCCCc1cc(=O)c(C(=O)N(Cc2ccccc2)c2ccccc2)c(CCCCC)[nH]1.
What is the InChIKey of N-benzyl-4-oxo-2,6-dipentyl-N-phenyl-1H-pyridine-3-carboxamide?
The InChIKey is WAGJUUASKSGFMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H36N2O2/c1-3-5-9-17-24-21-27(32)28(26(30-24)20-10-6-4-2)29(33)31(25-18-13-8-14-19-25)22-23-15-11-7-12-16-23/h7-8,11-16,18-19,21H,3-6,9-10,17,20,22H2,1-2H3,(H,30,32).
What are the key properties of N-benzyl-4-oxo-2,6-dipentyl-N-phenyl-1H-pyridine-3-carboxamide?
N-benzyl-4-oxo-2,6-dipentyl-N-phenyl-1H-pyridine-3-carboxamide has a molecular weight of 444.62 g/mol, XLogP of 6.69, 12 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-oxo-2,6-dipentyl-N-phenyl-1H-pyridine-3-carboxamide is sourced from PubChem (CID 70357969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).