N-benzyl-2-[4-(3-methylphenyl)piperazin-1-yl]pyrimidine-5-carboxamide

C23H25N5O — CID 109255251

IUPACN-benzyl-2-[4-(3-methylphenyl)piperazin-1-yl]pyrimidine-5-carboxamide
SMILESCc1cccc(N2CCN(c3ncc(C(=O)NCc4ccccc4)cn3)CC2)c1
InChIInChI=1S/C23H25N5O/c1-18-6-5-9-21(14-18)27-10-12-28(13-11-27)23-25-16-20(17-26-23)22(29)24-15-19-7-3-2-4-8-19/h2-9,14,16-17H,10-13,15H2,1H3,(H,24,29)
InChIKeySYNOXZGTTKSCDQ-UHFFFAOYSA-N
MW387.49 g/mol
LogP3.04
Rot. Bonds5

About N-benzyl-2-[4-(3-methylphenyl)piperazin-1-yl]pyrimidine-5-carboxamide

N-benzyl-2-[4-(3-methylphenyl)piperazin-1-yl]pyrimidine-5-carboxamide (PubChem CID 109255251) has the molecular formula C23H25N5O and a molecular weight of 387.49 g/mol. Its IUPAC name is N-benzyl-2-[4-(3-methylphenyl)piperazin-1-yl]pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-benzyl-2-[4-(3-methylphenyl)piperazin-1-yl]pyrimidine-5-carboxamide
PubChem CID109255251
Molecular FormulaC23H25N5O
Molecular Weight387.49 g/mol
Exact Mass387.21
IUPAC NameN-benzyl-2-[4-(3-methylphenyl)piperazin-1-yl]pyrimidine-5-carboxamide
SMILESCc1cccc(N2CCN(c3ncc(C(=O)NCc4ccccc4)cn3)CC2)c1
InChIInChI=1S/C23H25N5O/c1-18-6-5-9-21(14-18)27-10-12-28(13-11-27)23-25-16-20(17-26-23)22(29)24-15-19-7-3-2-4-8-19/h2-9,14,16-17H,10-13,15H2,1H3,(H,24,29)
InChIKeySYNOXZGTTKSCDQ-UHFFFAOYSA-N
XLogP3.04
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.49
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-acetylpiperazin-1-yl)-N-[(3-methylphenyl)methyl]pyrimidine-5-carboxamide
CID 109254741
N-benzyl-2-[4-(4-fluorophenyl)piperazin-1-yl]pyrimidine-5-carboxamide
CID 109255242
N-[(4-methylphenyl)methyl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidine-5-carboxamide
CID 109256107
N-methyl-2-[4-(3-methylphenyl)piperazin-1-yl]-N-phenylpyrimidine-5-carboxamide
CID 109262018
N-[(3-methylphenyl)methyl]-4-(4-pyrimidin-2-ylpiperazin-1-yl)pyridine-2-carboxamide
CID 109210191
N-benzyl-3-[4-(3-methylphenyl)piperazin-1-yl]propanamide
CID 109018781
N-benzyl-6-methyl-2-(4-phenylpiperazin-1-yl)pyrimidine-4-carboxamide
CID 109327232
2-methyl-N-[(3-methylphenyl)methyl]pyrimidine-5-carboxamide
CID 90099980
N-benzyl-3-[[4-(4-methylphenyl)piperazin-1-yl]methyl]benzamide
CID 83288344
N-[(4-methylphenyl)methyl]-2-(4-phenylpiperazin-1-yl)pyridine-4-carboxamide
CID 109169913
N-[[3-[4-[(4-methylphenyl)methyl]piperazin-1-yl]phenyl]methyl]benzamide
CID 23108907
N-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]benzamide
CID 30885244

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[4-(3-methylphenyl)piperazin-1-yl]pyrimidine-5-carboxamide?
The IUPAC name of N-benzyl-2-[4-(3-methylphenyl)piperazin-1-yl]pyrimidine-5-carboxamide (CID 109255251) is N-benzyl-2-[4-(3-methylphenyl)piperazin-1-yl]pyrimidine-5-carboxamide.
What is the SMILES notation for N-benzyl-2-[4-(3-methylphenyl)piperazin-1-yl]pyrimidine-5-carboxamide?
The canonical SMILES for N-benzyl-2-[4-(3-methylphenyl)piperazin-1-yl]pyrimidine-5-carboxamide is Cc1cccc(N2CCN(c3ncc(C(=O)NCc4ccccc4)cn3)CC2)c1.
What is the InChIKey of N-benzyl-2-[4-(3-methylphenyl)piperazin-1-yl]pyrimidine-5-carboxamide?
The InChIKey is SYNOXZGTTKSCDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5O/c1-18-6-5-9-21(14-18)27-10-12-28(13-11-27)23-25-16-20(17-26-23)22(29)24-15-19-7-3-2-4-8-19/h2-9,14,16-17H,10-13,15H2,1H3,(H,24,29).
What are the key properties of N-benzyl-2-[4-(3-methylphenyl)piperazin-1-yl]pyrimidine-5-carboxamide?
N-benzyl-2-[4-(3-methylphenyl)piperazin-1-yl]pyrimidine-5-carboxamide has a molecular weight of 387.49 g/mol, XLogP of 3.04, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[4-(3-methylphenyl)piperazin-1-yl]pyrimidine-5-carboxamide is sourced from PubChem (CID 109255251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).