N-[2-[[[4-(4-methylphenyl)-4-oxobutanoyl]amino]methyl]phenyl]pyridine-3-carboxamide

C24H23N3O3 — CID 108925922

IUPACN-[2-[[[4-(4-methylphenyl)-4-oxobutanoyl]amino]methyl]phenyl]pyridine-3-carboxamide
SMILESCc1ccc(C(=O)CCC(=O)NCc2ccccc2NC(=O)c2cccnc2)cc1
InChIInChI=1S/C24H23N3O3/c1-17-8-10-18(11-9-17)22(28)12-13-23(29)26-16-19-5-2-3-7-21(19)27-24(30)20-6-4-14-25-15-20/h2-11,14-15H,12-13,16H2,1H3,(H,26,29)(H,27,30)
InChIKeyJZWXLXKZESXURR-UHFFFAOYSA-N
MW401.47 g/mol
LogP3.92
Rot. Bonds8

About N-[2-[[[4-(4-methylphenyl)-4-oxobutanoyl]amino]methyl]phenyl]pyridine-3-carboxamide

N-[2-[[[4-(4-methylphenyl)-4-oxobutanoyl]amino]methyl]phenyl]pyridine-3-carboxamide (PubChem CID 108925922) has the molecular formula C24H23N3O3 and a molecular weight of 401.47 g/mol. Its IUPAC name is N-[2-[[[4-(4-methylphenyl)-4-oxobutanoyl]amino]methyl]phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-[[[4-(4-methylphenyl)-4-oxobutanoyl]amino]methyl]phenyl]pyridine-3-carboxamide
PubChem CID108925922
Molecular FormulaC24H23N3O3
Molecular Weight401.47 g/mol
Exact Mass401.17
IUPAC NameN-[2-[[[4-(4-methylphenyl)-4-oxobutanoyl]amino]methyl]phenyl]pyridine-3-carboxamide
SMILESCc1ccc(C(=O)CCC(=O)NCc2ccccc2NC(=O)c2cccnc2)cc1
InChIInChI=1S/C24H23N3O3/c1-17-8-10-18(11-9-17)22(28)12-13-23(29)26-16-19-5-2-3-7-21(19)27-24(30)20-6-4-14-25-15-20/h2-11,14-15H,12-13,16H2,1H3,(H,26,29)(H,27,30)
InChIKeyJZWXLXKZESXURR-UHFFFAOYSA-N
XLogP3.92
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.47
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[2-[[[4-(4-methylphenyl)-4-oxobutanoyl]amino]methyl]phenyl]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-[2-[(3-methoxypropanoylamino)methyl]phenyl]pyridine-3-carboxamide
CID 108926036
N-[2-[[[2-(3-methylphenyl)acetyl]amino]methyl]phenyl]pyridine-3-carboxamide
CID 108926106
N-[2-(benzamidomethyl)phenyl]pyridine-3-carboxamide
CID 108926022
N-[[2-[(3,4-dimethylbenzoyl)amino]phenyl]methyl]pyridine-3-carboxamide
CID 108926065
N-[2-[[[2-(2,4-dimethylphenoxy)acetyl]amino]methyl]phenyl]pyridine-3-carboxamide
CID 108925892
N-[2-[[3-(4-bromophenyl)propanoylamino]methyl]phenyl]pyridine-3-carboxamide
CID 108926146
N-[2-[[[2-(2-methoxyethoxy)acetyl]amino]methyl]phenyl]pyridine-3-carboxamide
CID 108926070
N-[[2-(pyridine-4-carbonylamino)phenyl]methyl]pyridine-3-carboxamide
CID 108926051
N-[2-[(pyridine-4-carbonylamino)methyl]phenyl]pyridine-3-carboxamide
CID 108926052
N-[2-[[[2-(1,3-dioxoisoindol-2-yl)acetyl]amino]methyl]phenyl]pyridine-3-carboxamide
CID 108925920
N-[2-[[3-(3,4-dimethoxyphenyl)propanoylamino]methyl]phenyl]pyridine-3-carboxamide
CID 108926042
N-[[2-[[2-(3-methylphenyl)acetyl]amino]phenyl]methyl]pyridine-3-carboxamide
CID 108926105

Frequently Asked Questions

What is the IUPAC name of N-[2-[[[4-(4-methylphenyl)-4-oxobutanoyl]amino]methyl]phenyl]pyridine-3-carboxamide?
The IUPAC name of N-[2-[[[4-(4-methylphenyl)-4-oxobutanoyl]amino]methyl]phenyl]pyridine-3-carboxamide (CID 108925922) is N-[2-[[[4-(4-methylphenyl)-4-oxobutanoyl]amino]methyl]phenyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[2-[[[4-(4-methylphenyl)-4-oxobutanoyl]amino]methyl]phenyl]pyridine-3-carboxamide?
The canonical SMILES for N-[2-[[[4-(4-methylphenyl)-4-oxobutanoyl]amino]methyl]phenyl]pyridine-3-carboxamide is Cc1ccc(C(=O)CCC(=O)NCc2ccccc2NC(=O)c2cccnc2)cc1.
What is the InChIKey of N-[2-[[[4-(4-methylphenyl)-4-oxobutanoyl]amino]methyl]phenyl]pyridine-3-carboxamide?
The InChIKey is JZWXLXKZESXURR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O3/c1-17-8-10-18(11-9-17)22(28)12-13-23(29)26-16-19-5-2-3-7-21(19)27-24(30)20-6-4-14-25-15-20/h2-11,14-15H,12-13,16H2,1H3,(H,26,29)(H,27,30).
What are the key properties of N-[2-[[[4-(4-methylphenyl)-4-oxobutanoyl]amino]methyl]phenyl]pyridine-3-carboxamide?
N-[2-[[[4-(4-methylphenyl)-4-oxobutanoyl]amino]methyl]phenyl]pyridine-3-carboxamide has a molecular weight of 401.47 g/mol, XLogP of 3.92, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[[4-(4-methylphenyl)-4-oxobutanoyl]amino]methyl]phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 108925922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).