N-(1-phenylethyl)-5-(4-pyrimidin-2-ylpiperazin-1-yl)pyridine-2-carboxamide

C22H24N6O — CID 109188874

IUPACN-(1-phenylethyl)-5-(4-pyrimidin-2-ylpiperazin-1-yl)pyridine-2-carboxamide
SMILESCC(NC(=O)c1ccc(N2CCN(c3ncccn3)CC2)cn1)c1ccccc1
InChIInChI=1S/C22H24N6O/c1-17(18-6-3-2-4-7-18)26-21(29)20-9-8-19(16-25-20)27-12-14-28(15-13-27)22-23-10-5-11-24-22/h2-11,16-17H,12-15H2,1H3,(H,26,29)
InChIKeyXIZUTKLDEHRODK-UHFFFAOYSA-N
MW388.48 g/mol
LogP2.69
Rot. Bonds5

About N-(1-phenylethyl)-5-(4-pyrimidin-2-ylpiperazin-1-yl)pyridine-2-carboxamide

N-(1-phenylethyl)-5-(4-pyrimidin-2-ylpiperazin-1-yl)pyridine-2-carboxamide (PubChem CID 109188874) has the molecular formula C22H24N6O and a molecular weight of 388.48 g/mol. Its IUPAC name is N-(1-phenylethyl)-5-(4-pyrimidin-2-ylpiperazin-1-yl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(1-phenylethyl)-5-(4-pyrimidin-2-ylpiperazin-1-yl)pyridine-2-carboxamide
PubChem CID109188874
Molecular FormulaC22H24N6O
Molecular Weight388.48 g/mol
Exact Mass388.20
IUPAC NameN-(1-phenylethyl)-5-(4-pyrimidin-2-ylpiperazin-1-yl)pyridine-2-carboxamide
SMILESCC(NC(=O)c1ccc(N2CCN(c3ncccn3)CC2)cn1)c1ccccc1
InChIInChI=1S/C22H24N6O/c1-17(18-6-3-2-4-7-18)26-21(29)20-9-8-19(16-25-20)27-12-14-28(15-13-27)22-23-10-5-11-24-22/h2-11,16-17H,12-15H2,1H3,(H,26,29)
InChIKeyXIZUTKLDEHRODK-UHFFFAOYSA-N
XLogP2.69
TPSA74.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.48
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(1-phenylethyl)-5-(4-pyrimidin-2-ylpiperazin-1-yl)pyridine-2-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

2-(4-ethylpiperazin-1-yl)-N-(1-phenylethyl)pyrimidine-4-carboxamide
CID 109302377
N-cyclohexyl-5-(4-pyrimidin-2-ylpiperazin-1-yl)pyridine-2-carboxamide
CID 109182962
2-(azepan-1-yl)-N-(1-phenylethyl)pyrimidine-5-carboxamide
CID 109256389
N-(1-phenylethyl)-3-(4-pyrimidin-2-ylpiperazin-1-yl)propanamide
CID 24588722
5-(4-acetylpiperazin-1-yl)-N-(1-phenylethyl)pyrazine-2-carboxamide
CID 109279167
5-[4-(4-fluorophenyl)piperazin-1-yl]-N-propan-2-ylpyridine-2-carboxamide
CID 109179488
5-(azepan-1-yl)-N-(1-phenylethyl)pyrazine-2-carboxamide
CID 109280802
5-[4-(3-chlorophenyl)piperazin-1-yl]-N-propan-2-ylpyridine-2-carboxamide
CID 109179502
N-(1-phenylethyl)-1-(2-pyrrolidin-1-ylpyrimidin-5-yl)piperidine-4-carboxamide
CID 53146134
N-(1-phenylethyl)-1-(4-pyrimidin-2-ylpiperazine-1-carbonyl)cyclopropane-1-carboxamide
CID 108975381
5-(1-phenylethylcarbamoyl)pyridine-2-carboxylic acid
CID 43414636
5-(aminomethyl)-N-[(1R)-1-phenylethyl]pyridine-2-carboxamide
CID 107863938

Frequently Asked Questions

What is the IUPAC name of N-(1-phenylethyl)-5-(4-pyrimidin-2-ylpiperazin-1-yl)pyridine-2-carboxamide?
The IUPAC name of N-(1-phenylethyl)-5-(4-pyrimidin-2-ylpiperazin-1-yl)pyridine-2-carboxamide (CID 109188874) is N-(1-phenylethyl)-5-(4-pyrimidin-2-ylpiperazin-1-yl)pyridine-2-carboxamide.
What is the SMILES notation for N-(1-phenylethyl)-5-(4-pyrimidin-2-ylpiperazin-1-yl)pyridine-2-carboxamide?
The canonical SMILES for N-(1-phenylethyl)-5-(4-pyrimidin-2-ylpiperazin-1-yl)pyridine-2-carboxamide is CC(NC(=O)c1ccc(N2CCN(c3ncccn3)CC2)cn1)c1ccccc1.
What is the InChIKey of N-(1-phenylethyl)-5-(4-pyrimidin-2-ylpiperazin-1-yl)pyridine-2-carboxamide?
The InChIKey is XIZUTKLDEHRODK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N6O/c1-17(18-6-3-2-4-7-18)26-21(29)20-9-8-19(16-25-20)27-12-14-28(15-13-27)22-23-10-5-11-24-22/h2-11,16-17H,12-15H2,1H3,(H,26,29).
What are the key properties of N-(1-phenylethyl)-5-(4-pyrimidin-2-ylpiperazin-1-yl)pyridine-2-carboxamide?
N-(1-phenylethyl)-5-(4-pyrimidin-2-ylpiperazin-1-yl)pyridine-2-carboxamide has a molecular weight of 388.48 g/mol, XLogP of 2.69, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-phenylethyl)-5-(4-pyrimidin-2-ylpiperazin-1-yl)pyridine-2-carboxamide is sourced from PubChem (CID 109188874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).