N-[3-(butanoylamino)-2-methylphenyl]-4-pyridin-4-ylpiperazine-1-carboxamide

C21H27N5O2 — CID 47750340

IUPACN-[3-(butanoylamino)-2-methylphenyl]-4-pyridin-4-ylpiperazine-1-carboxamide
SMILESCCCC(=O)Nc1cccc(NC(=O)N2CCN(c3ccncc3)CC2)c1C
InChIInChI=1S/C21H27N5O2/c1-3-5-20(27)23-18-6-4-7-19(16(18)2)24-21(28)26-14-12-25(13-15-26)17-8-10-22-11-9-17/h4,6-11H,3,5,12-15H2,1-2H3,(H,23,27)(H,24,28)
InChIKeyWNXFGDNXBKXJPO-UHFFFAOYSA-N
MW381.48 g/mol
LogP3.48
Rot. Bonds5

About N-[3-(butanoylamino)-2-methylphenyl]-4-pyridin-4-ylpiperazine-1-carboxamide

N-[3-(butanoylamino)-2-methylphenyl]-4-pyridin-4-ylpiperazine-1-carboxamide (PubChem CID 47750340) has the molecular formula C21H27N5O2 and a molecular weight of 381.48 g/mol. Its IUPAC name is N-[3-(butanoylamino)-2-methylphenyl]-4-pyridin-4-ylpiperazine-1-carboxamide.

Molecular Properties

Compound NameN-[3-(butanoylamino)-2-methylphenyl]-4-pyridin-4-ylpiperazine-1-carboxamide
PubChem CID47750340
Molecular FormulaC21H27N5O2
Molecular Weight381.48 g/mol
Exact Mass381.22
IUPAC NameN-[3-(butanoylamino)-2-methylphenyl]-4-pyridin-4-ylpiperazine-1-carboxamide
SMILESCCCC(=O)Nc1cccc(NC(=O)N2CCN(c3ccncc3)CC2)c1C
InChIInChI=1S/C21H27N5O2/c1-3-5-20(27)23-18-6-4-7-19(16(18)2)24-21(28)26-14-12-25(13-15-26)17-8-10-22-11-9-17/h4,6-11H,3,5,12-15H2,1-2H3,(H,23,27)(H,24,28)
InChIKeyWNXFGDNXBKXJPO-UHFFFAOYSA-N
XLogP3.48
TPSA77.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[3-(butanoylamino)-2-methylphenyl]-4-pyridin-4-ylpiperazine-1-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-methyl-3-(methylcarbamoyl)phenyl]-4-pyridin-4-ylpiperazine-1-carboxamide
CID 86988495
N-(2-methylsulfanylphenyl)-4-pyridin-4-ylpiperazine-1-carboxamide
CID 86987118
N-(2-ethyl-6-methylphenyl)-4-pyridin-4-ylpiperazine-1-carboxamide
CID 86986479
N-propyl-4-pyridin-4-ylpiperazine-1-carboxamide
CID 47117590
N-(5-acetamido-2-methylphenyl)-4-pyridin-4-ylpiperazine-1-carboxamide
CID 86994575
4-(3,4-dimethylphenyl)-N-isoquinolin-5-ylpiperazine-1-carboxamide
CID 10067089
N-(4-ethoxyphenyl)-4-pyridin-4-ylpiperazine-1-carboxamide
CID 86986398
N-(4-ethyl-1,3-dimethylpyrazol-5-yl)-4-pyridin-4-ylpiperazine-1-carboxamide
CID 72938073
N-hexan-3-yl-4-pyridin-4-ylpiperazine-1-carboxamide
CID 122562374
N-(2,3-dimethylphenyl)-4-(3,4-dimethylphenyl)piperazine-1-carboxamide
CID 113111604
N-(4-acetylphenyl)-4-pyridin-4-ylpiperazine-1-carboxamide
CID 86920409
N-(4-methyl-1,3-thiazol-2-yl)-4-pyridin-4-ylpiperazine-1-carboxamide
CID 86986799

Frequently Asked Questions

What is the IUPAC name of N-[3-(butanoylamino)-2-methylphenyl]-4-pyridin-4-ylpiperazine-1-carboxamide?
The IUPAC name of N-[3-(butanoylamino)-2-methylphenyl]-4-pyridin-4-ylpiperazine-1-carboxamide (CID 47750340) is N-[3-(butanoylamino)-2-methylphenyl]-4-pyridin-4-ylpiperazine-1-carboxamide.
What is the SMILES notation for N-[3-(butanoylamino)-2-methylphenyl]-4-pyridin-4-ylpiperazine-1-carboxamide?
The canonical SMILES for N-[3-(butanoylamino)-2-methylphenyl]-4-pyridin-4-ylpiperazine-1-carboxamide is CCCC(=O)Nc1cccc(NC(=O)N2CCN(c3ccncc3)CC2)c1C.
What is the InChIKey of N-[3-(butanoylamino)-2-methylphenyl]-4-pyridin-4-ylpiperazine-1-carboxamide?
The InChIKey is WNXFGDNXBKXJPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N5O2/c1-3-5-20(27)23-18-6-4-7-19(16(18)2)24-21(28)26-14-12-25(13-15-26)17-8-10-22-11-9-17/h4,6-11H,3,5,12-15H2,1-2H3,(H,23,27)(H,24,28).
What are the key properties of N-[3-(butanoylamino)-2-methylphenyl]-4-pyridin-4-ylpiperazine-1-carboxamide?
N-[3-(butanoylamino)-2-methylphenyl]-4-pyridin-4-ylpiperazine-1-carboxamide has a molecular weight of 381.48 g/mol, XLogP of 3.48, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(butanoylamino)-2-methylphenyl]-4-pyridin-4-ylpiperazine-1-carboxamide is sourced from PubChem (CID 47750340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).