N-[3-[4-(2-methylphenyl)piperazin-1-yl]propyl]pyridine-4-carboxamide

C20H26N4O — CID 127042302

IUPACN-[3-[4-(2-methylphenyl)piperazin-1-yl]propyl]pyridine-4-carboxamide
SMILESCc1ccccc1N1CCN(CCCNC(=O)c2ccncc2)CC1
InChIInChI=1S/C20H26N4O/c1-17-5-2-3-6-19(17)24-15-13-23(14-16-24)12-4-9-22-20(25)18-7-10-21-11-8-18/h2-3,5-8,10-11H,4,9,12-16H2,1H3,(H,22,25)
InChIKeyZYZNWUMYTUWBBM-UHFFFAOYSA-N
MW338.46 g/mol
LogP2.33
Rot. Bonds6

About N-[3-[4-(2-methylphenyl)piperazin-1-yl]propyl]pyridine-4-carboxamide

N-[3-[4-(2-methylphenyl)piperazin-1-yl]propyl]pyridine-4-carboxamide (PubChem CID 127042302) has the molecular formula C20H26N4O and a molecular weight of 338.46 g/mol. Its IUPAC name is N-[3-[4-(2-methylphenyl)piperazin-1-yl]propyl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[3-[4-(2-methylphenyl)piperazin-1-yl]propyl]pyridine-4-carboxamide
PubChem CID127042302
Molecular FormulaC20H26N4O
Molecular Weight338.46 g/mol
Exact Mass338.21
IUPAC NameN-[3-[4-(2-methylphenyl)piperazin-1-yl]propyl]pyridine-4-carboxamide
SMILESCc1ccccc1N1CCN(CCCNC(=O)c2ccncc2)CC1
InChIInChI=1S/C20H26N4O/c1-17-5-2-3-6-19(17)24-15-13-23(14-16-24)12-4-9-22-20(25)18-7-10-21-11-8-18/h2-3,5-8,10-11H,4,9,12-16H2,1H3,(H,22,25)
InChIKeyZYZNWUMYTUWBBM-UHFFFAOYSA-N
XLogP2.33
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.46
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[3-[4-(2-methylphenyl)piperazin-1-yl]propyl]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

N-[3-[4-(2-ethoxyphenyl)piperazin-1-yl]propyl]pyridine-4-carboxamide
CID 127042300
N-[4-[4-(2-methylphenyl)piperazin-1-yl]butyl]pyrazolo[1,5-a]pyridine-2-carboxamide
CID 11523990
2-(2-methylphenyl)-1,3-dioxo-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]isoindole-5-carboxamide
CID 39540741
N-[4-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]butyl]pyridine-4-carboxamide
CID 10620723
N-[4-[4-(2,3-dimethylphenyl)piperazin-1-yl]butyl]anthracene-2-carboxamide;hydrochloride
CID 21202821
3-[(2-fluorobenzoyl)amino]-4-[4-(2-methylphenyl)piperazin-1-yl]-N-(3-pyrrolidin-1-ylpropyl)benzamide
CID 130372829
N'-[3-[4-(2-methylphenyl)piperazin-1-yl]propyl]ethane-1,2-diamine
CID 10492743
4-tert-butyl-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]benzamide
CID 39539439
N'-(2,6-dimethylphenyl)-N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]oxamide
CID 42390054
N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]-2-thiophen-2-ylpyridine-4-carboxamide
CID 53119705
4-tert-butyl-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]benzamide
CID 10971923
N-[3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]propyl]pyridine-4-carboxamide
CID 51725583

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-(2-methylphenyl)piperazin-1-yl]propyl]pyridine-4-carboxamide?
The IUPAC name of N-[3-[4-(2-methylphenyl)piperazin-1-yl]propyl]pyridine-4-carboxamide (CID 127042302) is N-[3-[4-(2-methylphenyl)piperazin-1-yl]propyl]pyridine-4-carboxamide.
What is the SMILES notation for N-[3-[4-(2-methylphenyl)piperazin-1-yl]propyl]pyridine-4-carboxamide?
The canonical SMILES for N-[3-[4-(2-methylphenyl)piperazin-1-yl]propyl]pyridine-4-carboxamide is Cc1ccccc1N1CCN(CCCNC(=O)c2ccncc2)CC1.
What is the InChIKey of N-[3-[4-(2-methylphenyl)piperazin-1-yl]propyl]pyridine-4-carboxamide?
The InChIKey is ZYZNWUMYTUWBBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O/c1-17-5-2-3-6-19(17)24-15-13-23(14-16-24)12-4-9-22-20(25)18-7-10-21-11-8-18/h2-3,5-8,10-11H,4,9,12-16H2,1H3,(H,22,25).
What are the key properties of N-[3-[4-(2-methylphenyl)piperazin-1-yl]propyl]pyridine-4-carboxamide?
N-[3-[4-(2-methylphenyl)piperazin-1-yl]propyl]pyridine-4-carboxamide has a molecular weight of 338.46 g/mol, XLogP of 2.33, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-(2-methylphenyl)piperazin-1-yl]propyl]pyridine-4-carboxamide is sourced from PubChem (CID 127042302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).