N-cyclohexyl-4-(4-ethylpiperazin-1-yl)-2-phenylpyrimidine-5-carboxamide

C23H31N5O — CID 46111456

IUPACN-cyclohexyl-4-(4-ethylpiperazin-1-yl)-2-phenylpyrimidine-5-carboxamide
SMILESCCN1CCN(c2nc(-c3ccccc3)ncc2C(=O)NC2CCCCC2)CC1
InChIInChI=1S/C23H31N5O/c1-2-27-13-15-28(16-14-27)22-20(23(29)25-19-11-7-4-8-12-19)17-24-21(26-22)18-9-5-3-6-10-18/h3,5-6,9-10,17,19H,2,4,7-8,11-16H2,1H3,(H,25,29)
InChIKeyXPIUOYRNKWPCRE-UHFFFAOYSA-N
MW393.54 g/mol
LogP3.35
Rot. Bonds5

About N-cyclohexyl-4-(4-ethylpiperazin-1-yl)-2-phenylpyrimidine-5-carboxamide

N-cyclohexyl-4-(4-ethylpiperazin-1-yl)-2-phenylpyrimidine-5-carboxamide (PubChem CID 46111456) has the molecular formula C23H31N5O and a molecular weight of 393.54 g/mol. Its IUPAC name is N-cyclohexyl-4-(4-ethylpiperazin-1-yl)-2-phenylpyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-4-(4-ethylpiperazin-1-yl)-2-phenylpyrimidine-5-carboxamide
PubChem CID46111456
Molecular FormulaC23H31N5O
Molecular Weight393.54 g/mol
Exact Mass393.25
IUPAC NameN-cyclohexyl-4-(4-ethylpiperazin-1-yl)-2-phenylpyrimidine-5-carboxamide
SMILESCCN1CCN(c2nc(-c3ccccc3)ncc2C(=O)NC2CCCCC2)CC1
InChIInChI=1S/C23H31N5O/c1-2-27-13-15-28(16-14-27)22-20(23(29)25-19-11-7-4-8-12-19)17-24-21(26-22)18-9-5-3-6-10-18/h3,5-6,9-10,17,19H,2,4,7-8,11-16H2,1H3,(H,25,29)
InChIKeyXPIUOYRNKWPCRE-UHFFFAOYSA-N
XLogP3.35
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.54
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-cyclohexyl-4-(4-ethylpiperazin-1-yl)-2-phenylpyrimidine-5-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-tert-butyl-4-(4-ethylpiperazin-1-yl)-2-phenylpyrimidine-5-carboxamide
CID 46111457
4-(4-ethylpiperazin-1-yl)-2-phenyl-N-(3-phenylpropyl)pyrimidine-5-carboxamide
CID 42882409
N-cyclopropyl-2-phenyl-4-thiomorpholin-4-ylpyrimidine-5-carboxamide
CID 83289853
2-phenyl-4-piperidin-1-ylpyrimidine-5-carboxylic acid
CID 42669942
4-(4-ethylpiperazin-1-yl)-N-(2-methoxyethyl)-2-(4-methoxyphenyl)pyrimidine-5-carboxamide
CID 42671014
N-(1-ethylpiperidin-4-yl)-5-phenyl-1H-pyrazole-4-carboxamide
CID 146131304
2-(4-methylphenyl)-4-piperidin-1-ylpyrimidine-5-carboxylic acid
CID 42669970
ethyl 4-[4-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)piperazin-1-yl]-2-phenylpyrimidine-5-carboxylate
CID 108772805
2-(4-ethoxyphenyl)-4-piperidin-1-ylpyrimidine-5-carboxylic acid
CID 53214932
N-(1-ethylpiperidin-4-yl)pyridine-2-carboxamide
CID 69401322
3-cyclopentyl-1-[4-(4-ethylpiperazin-1-yl)-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]propan-1-one
CID 5040875
N-cyclopentyl-2-(4-ethylpiperazin-1-yl)-7-methyl-1,3-benzothiazole-6-carboxamide
CID 164875173

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-4-(4-ethylpiperazin-1-yl)-2-phenylpyrimidine-5-carboxamide?
The IUPAC name of N-cyclohexyl-4-(4-ethylpiperazin-1-yl)-2-phenylpyrimidine-5-carboxamide (CID 46111456) is N-cyclohexyl-4-(4-ethylpiperazin-1-yl)-2-phenylpyrimidine-5-carboxamide.
What is the SMILES notation for N-cyclohexyl-4-(4-ethylpiperazin-1-yl)-2-phenylpyrimidine-5-carboxamide?
The canonical SMILES for N-cyclohexyl-4-(4-ethylpiperazin-1-yl)-2-phenylpyrimidine-5-carboxamide is CCN1CCN(c2nc(-c3ccccc3)ncc2C(=O)NC2CCCCC2)CC1.
What is the InChIKey of N-cyclohexyl-4-(4-ethylpiperazin-1-yl)-2-phenylpyrimidine-5-carboxamide?
The InChIKey is XPIUOYRNKWPCRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N5O/c1-2-27-13-15-28(16-14-27)22-20(23(29)25-19-11-7-4-8-12-19)17-24-21(26-22)18-9-5-3-6-10-18/h3,5-6,9-10,17,19H,2,4,7-8,11-16H2,1H3,(H,25,29).
What are the key properties of N-cyclohexyl-4-(4-ethylpiperazin-1-yl)-2-phenylpyrimidine-5-carboxamide?
N-cyclohexyl-4-(4-ethylpiperazin-1-yl)-2-phenylpyrimidine-5-carboxamide has a molecular weight of 393.54 g/mol, XLogP of 3.35, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-4-(4-ethylpiperazin-1-yl)-2-phenylpyrimidine-5-carboxamide is sourced from PubChem (CID 46111456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).