N-[2-(4-methylphenyl)-2-(4-methylpiperazin-1-yl)ethyl]-4-pyridin-3-ylbutanamide

C23H32N4O — CID 110622335

IUPACN-[2-(4-methylphenyl)-2-(4-methylpiperazin-1-yl)ethyl]-4-pyridin-3-ylbutanamide
SMILESCc1ccc(C(CNC(=O)CCCc2cccnc2)N2CCN(C)CC2)cc1
InChIInChI=1S/C23H32N4O/c1-19-8-10-21(11-9-19)22(27-15-13-26(2)14-16-27)18-25-23(28)7-3-5-20-6-4-12-24-17-20/h4,6,8-12,17,22H,3,5,7,13-16,18H2,1-2H3,(H,25,28)
InChIKeyAMPXBMJNZBYQIR-UHFFFAOYSA-N
MW380.54 g/mol
LogP2.82
Rot. Bonds8

About N-[2-(4-methylphenyl)-2-(4-methylpiperazin-1-yl)ethyl]-4-pyridin-3-ylbutanamide

N-[2-(4-methylphenyl)-2-(4-methylpiperazin-1-yl)ethyl]-4-pyridin-3-ylbutanamide (PubChem CID 110622335) has the molecular formula C23H32N4O and a molecular weight of 380.54 g/mol. Its IUPAC name is N-[2-(4-methylphenyl)-2-(4-methylpiperazin-1-yl)ethyl]-4-pyridin-3-ylbutanamide.

Molecular Properties

Compound NameN-[2-(4-methylphenyl)-2-(4-methylpiperazin-1-yl)ethyl]-4-pyridin-3-ylbutanamide
PubChem CID110622335
Molecular FormulaC23H32N4O
Molecular Weight380.54 g/mol
Exact Mass380.26
IUPAC NameN-[2-(4-methylphenyl)-2-(4-methylpiperazin-1-yl)ethyl]-4-pyridin-3-ylbutanamide
SMILESCc1ccc(C(CNC(=O)CCCc2cccnc2)N2CCN(C)CC2)cc1
InChIInChI=1S/C23H32N4O/c1-19-8-10-21(11-9-19)22(27-15-13-26(2)14-16-27)18-25-23(28)7-3-5-20-6-4-12-24-17-20/h4,6,8-12,17,22H,3,5,7,13-16,18H2,1-2H3,(H,25,28)
InChIKeyAMPXBMJNZBYQIR-UHFFFAOYSA-N
XLogP2.82
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.54
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[2-(4-methylphenyl)-2-(4-methylpiperazin-1-yl)ethyl]-4-pyridin-3-ylbutanamide 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

4-(4-methylphenyl)-N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)butanamide
CID 110304070
N-[2-(4-methylphenyl)-2-(4-methylpiperazin-1-yl)ethyl]-5-thiophen-2-ylpentanamide
CID 110302964
3-(4-fluorophenyl)-N-[2-(4-methylphenyl)-2-(4-methylpiperazin-1-yl)ethyl]propanamide
CID 110622313
4-(4-methylphenyl)-N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]butanamide
CID 110302631
N-[2-(4-methylpiperazin-1-yl)-2-oxo-1-phenylethyl]-4-pyridin-3-ylbutanamide
CID 110626227
N-[(2S)-2-morpholin-4-yl-2-pyridin-4-ylethyl]-3-pyridin-3-ylpropanamide
CID 99927332
3-(furan-2-yl)-N-[2-(4-methylphenyl)-2-(4-methylpiperazin-1-yl)ethyl]propanamide
CID 110302956
N-[2-(4-methylpiperazin-1-yl)-2-phenylethyl]pentanamide
CID 112503144
N-[(2R)-2-(4-methylpiperazin-1-yl)-2-thiophen-2-ylethyl]-4-phenylbutanamide
CID 51728290
N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]-3-phenylpropanamide
CID 18588986
2-(2-methoxyphenoxy)-N-[2-(4-methylphenyl)-2-(4-methylpiperazin-1-yl)ethyl]acetamide
CID 112504392
4-(4-methylphenyl)-N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)-4-oxobutanamide
CID 110304051

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methylphenyl)-2-(4-methylpiperazin-1-yl)ethyl]-4-pyridin-3-ylbutanamide?
The IUPAC name of N-[2-(4-methylphenyl)-2-(4-methylpiperazin-1-yl)ethyl]-4-pyridin-3-ylbutanamide (CID 110622335) is N-[2-(4-methylphenyl)-2-(4-methylpiperazin-1-yl)ethyl]-4-pyridin-3-ylbutanamide.
What is the SMILES notation for N-[2-(4-methylphenyl)-2-(4-methylpiperazin-1-yl)ethyl]-4-pyridin-3-ylbutanamide?
The canonical SMILES for N-[2-(4-methylphenyl)-2-(4-methylpiperazin-1-yl)ethyl]-4-pyridin-3-ylbutanamide is Cc1ccc(C(CNC(=O)CCCc2cccnc2)N2CCN(C)CC2)cc1.
What is the InChIKey of N-[2-(4-methylphenyl)-2-(4-methylpiperazin-1-yl)ethyl]-4-pyridin-3-ylbutanamide?
The InChIKey is AMPXBMJNZBYQIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N4O/c1-19-8-10-21(11-9-19)22(27-15-13-26(2)14-16-27)18-25-23(28)7-3-5-20-6-4-12-24-17-20/h4,6,8-12,17,22H,3,5,7,13-16,18H2,1-2H3,(H,25,28).
What are the key properties of N-[2-(4-methylphenyl)-2-(4-methylpiperazin-1-yl)ethyl]-4-pyridin-3-ylbutanamide?
N-[2-(4-methylphenyl)-2-(4-methylpiperazin-1-yl)ethyl]-4-pyridin-3-ylbutanamide has a molecular weight of 380.54 g/mol, XLogP of 2.82, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methylphenyl)-2-(4-methylpiperazin-1-yl)ethyl]-4-pyridin-3-ylbutanamide is sourced from PubChem (CID 110622335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).