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

C22H23N5O — CID 109310347

IUPAC2-[4-(3-methylphenyl)piperazin-1-yl]-N-phenylpyrimidine-4-carboxamide
SMILESCc1cccc(N2CCN(c3nccc(C(=O)Nc4ccccc4)n3)CC2)c1
InChIInChI=1S/C22H23N5O/c1-17-6-5-9-19(16-17)26-12-14-27(15-13-26)22-23-11-10-20(25-22)21(28)24-18-7-3-2-4-8-18/h2-11,16H,12-15H2,1H3,(H,24,28)
InChIKeyQGQCWIOYAIZDJL-UHFFFAOYSA-N
MW373.46 g/mol
LogP3.36
Rot. Bonds4

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

2-[4-(3-methylphenyl)piperazin-1-yl]-N-phenylpyrimidine-4-carboxamide (PubChem CID 109310347) has the molecular formula C22H23N5O and a molecular weight of 373.46 g/mol. Its IUPAC name is 2-[4-(3-methylphenyl)piperazin-1-yl]-N-phenylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-[4-(3-methylphenyl)piperazin-1-yl]-N-phenylpyrimidine-4-carboxamide
PubChem CID109310347
Molecular FormulaC22H23N5O
Molecular Weight373.46 g/mol
Exact Mass373.19
IUPAC Name2-[4-(3-methylphenyl)piperazin-1-yl]-N-phenylpyrimidine-4-carboxamide
SMILESCc1cccc(N2CCN(c3nccc(C(=O)Nc4ccccc4)n3)CC2)c1
InChIInChI=1S/C22H23N5O/c1-17-6-5-9-19(16-17)26-12-14-27(15-13-26)22-23-11-10-20(25-22)21(28)24-18-7-3-2-4-8-18/h2-11,16H,12-15H2,1H3,(H,24,28)
InChIKeyQGQCWIOYAIZDJL-UHFFFAOYSA-N
XLogP3.36
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.46
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-methylphenyl)-2-[4-(3-methylphenyl)piperazin-1-yl]pyrimidine-4-carboxamide
CID 109310350
N-(4-cyanophenyl)-2-[4-(3-methylphenyl)piperazin-1-yl]pyrimidine-4-carboxamide
CID 109310358
N-(5-methyl-1,2-oxazol-3-yl)-2-[4-(3-methylphenyl)piperazin-1-yl]pyrimidine-4-carboxamide
CID 109310359
2-(4-methylpiperazin-1-yl)-N-phenylpyrimidine-4-carboxamide
CID 109302090
N-(3,4-dimethylphenyl)-2-(4-phenylpiperazin-1-yl)pyrimidine-4-carboxamide
CID 109309479
N-butan-2-yl-2-[4-(3-methylphenyl)piperazin-1-yl]pyrimidine-4-carboxamide
CID 109297331
N-(3-methoxypropyl)-2-[4-(3-methylphenyl)piperazin-1-yl]pyrimidine-4-carboxamide
CID 109300202
2-(4-benzylpiperazin-1-yl)-N-(4-methylphenyl)pyrimidine-4-carboxamide
CID 109309427
2-[4-(furan-2-carbonyl)piperazin-1-yl]-N-(3-methylphenyl)pyrimidine-4-carboxamide
CID 109310503
N-(4-methylphenyl)-2-pyrrolidin-1-ylpyrimidine-4-carboxamide
CID 109297550
N-(3,5-dimethylphenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidine-4-carboxamide
CID 109310548
(2-anilinopyrimidin-4-yl)-[4-(3-methylphenyl)piperazin-1-yl]methanone
CID 109310370

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-methylphenyl)piperazin-1-yl]-N-phenylpyrimidine-4-carboxamide?
The IUPAC name of 2-[4-(3-methylphenyl)piperazin-1-yl]-N-phenylpyrimidine-4-carboxamide (CID 109310347) is 2-[4-(3-methylphenyl)piperazin-1-yl]-N-phenylpyrimidine-4-carboxamide.
What is the SMILES notation for 2-[4-(3-methylphenyl)piperazin-1-yl]-N-phenylpyrimidine-4-carboxamide?
The canonical SMILES for 2-[4-(3-methylphenyl)piperazin-1-yl]-N-phenylpyrimidine-4-carboxamide is Cc1cccc(N2CCN(c3nccc(C(=O)Nc4ccccc4)n3)CC2)c1.
What is the InChIKey of 2-[4-(3-methylphenyl)piperazin-1-yl]-N-phenylpyrimidine-4-carboxamide?
The InChIKey is QGQCWIOYAIZDJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O/c1-17-6-5-9-19(16-17)26-12-14-27(15-13-26)22-23-11-10-20(25-22)21(28)24-18-7-3-2-4-8-18/h2-11,16H,12-15H2,1H3,(H,24,28).
What are the key properties of 2-[4-(3-methylphenyl)piperazin-1-yl]-N-phenylpyrimidine-4-carboxamide?
2-[4-(3-methylphenyl)piperazin-1-yl]-N-phenylpyrimidine-4-carboxamide has a molecular weight of 373.46 g/mol, XLogP of 3.36, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-methylphenyl)piperazin-1-yl]-N-phenylpyrimidine-4-carboxamide is sourced from PubChem (CID 109310347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).