2-(4-chlorophenyl)-N-(3-piperidin-1-ylphenyl)pyrimidine-4-carboxamide

C22H21ClN4O — CID 167899542

IUPAC2-(4-chlorophenyl)-N-(3-piperidin-1-ylphenyl)pyrimidine-4-carboxamide
SMILESO=C(Nc1cccc(N2CCCCC2)c1)c1ccnc(-c2ccc(Cl)cc2)n1
InChIInChI=1S/C22H21ClN4O/c23-17-9-7-16(8-10-17)21-24-12-11-20(26-21)22(28)25-18-5-4-6-19(15-18)27-13-2-1-3-14-27/h4-12,15H,1-3,13-14H2,(H,25,28)
InChIKeyHIQFSDJYJWWPKZ-UHFFFAOYSA-N
MW392.89 g/mol
LogP5.04
Rot. Bonds4

About 2-(4-chlorophenyl)-N-(3-piperidin-1-ylphenyl)pyrimidine-4-carboxamide

2-(4-chlorophenyl)-N-(3-piperidin-1-ylphenyl)pyrimidine-4-carboxamide (PubChem CID 167899542) has the molecular formula C22H21ClN4O and a molecular weight of 392.89 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-(3-piperidin-1-ylphenyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N-(3-piperidin-1-ylphenyl)pyrimidine-4-carboxamide
PubChem CID167899542
Molecular FormulaC22H21ClN4O
Molecular Weight392.89 g/mol
Exact Mass392.14
IUPAC Name2-(4-chlorophenyl)-N-(3-piperidin-1-ylphenyl)pyrimidine-4-carboxamide
SMILESO=C(Nc1cccc(N2CCCCC2)c1)c1ccnc(-c2ccc(Cl)cc2)n1
InChIInChI=1S/C22H21ClN4O/c23-17-9-7-16(8-10-17)21-24-12-11-20(26-21)22(28)25-18-5-4-6-19(15-18)27-13-2-1-3-14-27/h4-12,15H,1-3,13-14H2,(H,25,28)
InChIKeyHIQFSDJYJWWPKZ-UHFFFAOYSA-N
XLogP5.04
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.89
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(4-chlorophenyl)-N-(3-piperidin-1-ylphenyl)pyrimidine-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

4-(azepan-1-yl)-N-(4-chlorophenyl)pyridine-2-carboxamide
CID 109218660
2-(4-chlorophenyl)-N-(3-pyrimidin-2-yloxyphenyl)pyrimidine-4-carboxamide
CID 166208502
2-(azepan-1-yl)-N-(4-chlorophenyl)pyrimidine-4-carboxamide
CID 109313208
N-(3-acetylphenyl)-4-pyrrolidin-1-ylpyridine-2-carboxamide
CID 109203933
N-(3-iodophenyl)-4-pyrrolidin-1-ylpyridine-2-carboxamide
CID 112773692
N,2-diphenylpyrimidine-4-carboxamide
CID 139433813
3-chloro-N-(3-pyrrolidin-1-ylphenyl)pyridine-4-carboxamide
CID 66462445
N-(3-chlorophenyl)-5-piperidin-1-ylpyridine-3-carboxamide
CID 109226552
N-(3,4-difluorophenyl)-4-pyrrolidin-1-ylpyridine-2-carboxamide
CID 109203985
2-(azepan-1-yl)-N-(3,4-dichlorophenyl)pyrimidine-4-carboxamide
CID 109313267
N-(3-methoxyphenyl)-4-pyrrolidin-1-ylpyridine-2-carboxamide
CID 109203921
4-(4-acetylpiperazin-1-yl)-N-(3-chlorophenyl)pyridine-2-carboxamide
CID 109209220

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N-(3-piperidin-1-ylphenyl)pyrimidine-4-carboxamide?
The IUPAC name of 2-(4-chlorophenyl)-N-(3-piperidin-1-ylphenyl)pyrimidine-4-carboxamide (CID 167899542) is 2-(4-chlorophenyl)-N-(3-piperidin-1-ylphenyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 2-(4-chlorophenyl)-N-(3-piperidin-1-ylphenyl)pyrimidine-4-carboxamide?
The canonical SMILES for 2-(4-chlorophenyl)-N-(3-piperidin-1-ylphenyl)pyrimidine-4-carboxamide is O=C(Nc1cccc(N2CCCCC2)c1)c1ccnc(-c2ccc(Cl)cc2)n1.
What is the InChIKey of 2-(4-chlorophenyl)-N-(3-piperidin-1-ylphenyl)pyrimidine-4-carboxamide?
The InChIKey is HIQFSDJYJWWPKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21ClN4O/c23-17-9-7-16(8-10-17)21-24-12-11-20(26-21)22(28)25-18-5-4-6-19(15-18)27-13-2-1-3-14-27/h4-12,15H,1-3,13-14H2,(H,25,28).
What are the key properties of 2-(4-chlorophenyl)-N-(3-piperidin-1-ylphenyl)pyrimidine-4-carboxamide?
2-(4-chlorophenyl)-N-(3-piperidin-1-ylphenyl)pyrimidine-4-carboxamide has a molecular weight of 392.89 g/mol, XLogP of 5.04, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-N-(3-piperidin-1-ylphenyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 167899542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).