N-methyl-2-[4-(3-methylphenyl)piperazin-1-yl]-N-phenylpyrimidine-5-carboxamide

C23H25N5O — CID 109262018

IUPACN-methyl-2-[4-(3-methylphenyl)piperazin-1-yl]-N-phenylpyrimidine-5-carboxamide
SMILESCc1cccc(N2CCN(c3ncc(C(=O)N(C)c4ccccc4)cn3)CC2)c1
InChIInChI=1S/C23H25N5O/c1-18-7-6-10-21(15-18)27-11-13-28(14-12-27)23-24-16-19(17-25-23)22(29)26(2)20-8-4-3-5-9-20/h3-10,15-17H,11-14H2,1-2H3
InChIKeyXDTRIQVEIOPQOQ-UHFFFAOYSA-N
MW387.49 g/mol
LogP3.39
Rot. Bonds4

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

N-methyl-2-[4-(3-methylphenyl)piperazin-1-yl]-N-phenylpyrimidine-5-carboxamide (PubChem CID 109262018) has the molecular formula C23H25N5O and a molecular weight of 387.49 g/mol. Its IUPAC name is N-methyl-2-[4-(3-methylphenyl)piperazin-1-yl]-N-phenylpyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-methyl-2-[4-(3-methylphenyl)piperazin-1-yl]-N-phenylpyrimidine-5-carboxamide
PubChem CID109262018
Molecular FormulaC23H25N5O
Molecular Weight387.49 g/mol
Exact Mass387.21
IUPAC NameN-methyl-2-[4-(3-methylphenyl)piperazin-1-yl]-N-phenylpyrimidine-5-carboxamide
SMILESCc1cccc(N2CCN(c3ncc(C(=O)N(C)c4ccccc4)cn3)CC2)c1
InChIInChI=1S/C23H25N5O/c1-18-7-6-10-21(15-18)27-11-13-28(14-12-27)23-24-16-19(17-25-23)22(29)26(2)20-8-4-3-5-9-20/h3-10,15-17H,11-14H2,1-2H3
InChIKeyXDTRIQVEIOPQOQ-UHFFFAOYSA-N
XLogP3.39
TPSA52.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.49
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-benzyl-2-[4-(3-methylphenyl)piperazin-1-yl]pyrimidine-5-carboxamide
CID 109255251
N-methyl-2-(4-methylpiperidin-1-yl)-N-phenylpyrimidine-5-carboxamide
CID 109250908
2-(4-benzylpiperazin-1-yl)-N-methyl-N-phenylpyrimidine-5-carboxamide
CID 109261095
2-[4-(furan-2-carbonyl)piperazin-1-yl]-N-methyl-N-phenylpyrimidine-5-carboxamide
CID 109262168
2-(N-methylanilino)-1-[4-(3-methylphenyl)piperazin-1-yl]ethanone
CID 41335038
4-[4-(3-methylphenyl)piperazin-1-yl]benzoic acid
CID 43826187
N,N-diethyl-6-[4-(3-methylphenyl)piperazin-1-yl]pyridine-3-carboxamide
CID 109160359
5-methyl-2-(4-phenylpiperazin-1-yl)pyrimidine
CID 30182677
5-(azepan-1-yl)-N-methyl-N-phenylpyridine-3-carboxamide
CID 109241324
2-(3,4-dihydro-2H-quinolin-1-yl)-N-methyl-N-phenylpyrimidine-5-carboxamide
CID 109265866
4-[methyl-(3-methylphenyl)carbamoyl]pyridine-2-carboxylic acid
CID 115730189
1-(4-methylphenyl)-3-[2-(4-phenylpiperazin-1-yl)pyrimidin-5-yl]urea
CID 91968160

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[4-(3-methylphenyl)piperazin-1-yl]-N-phenylpyrimidine-5-carboxamide?
The IUPAC name of N-methyl-2-[4-(3-methylphenyl)piperazin-1-yl]-N-phenylpyrimidine-5-carboxamide (CID 109262018) is N-methyl-2-[4-(3-methylphenyl)piperazin-1-yl]-N-phenylpyrimidine-5-carboxamide.
What is the SMILES notation for N-methyl-2-[4-(3-methylphenyl)piperazin-1-yl]-N-phenylpyrimidine-5-carboxamide?
The canonical SMILES for N-methyl-2-[4-(3-methylphenyl)piperazin-1-yl]-N-phenylpyrimidine-5-carboxamide is Cc1cccc(N2CCN(c3ncc(C(=O)N(C)c4ccccc4)cn3)CC2)c1.
What is the InChIKey of N-methyl-2-[4-(3-methylphenyl)piperazin-1-yl]-N-phenylpyrimidine-5-carboxamide?
The InChIKey is XDTRIQVEIOPQOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5O/c1-18-7-6-10-21(15-18)27-11-13-28(14-12-27)23-24-16-19(17-25-23)22(29)26(2)20-8-4-3-5-9-20/h3-10,15-17H,11-14H2,1-2H3.
What are the key properties of N-methyl-2-[4-(3-methylphenyl)piperazin-1-yl]-N-phenylpyrimidine-5-carboxamide?
N-methyl-2-[4-(3-methylphenyl)piperazin-1-yl]-N-phenylpyrimidine-5-carboxamide has a molecular weight of 387.49 g/mol, XLogP of 3.39, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[4-(3-methylphenyl)piperazin-1-yl]-N-phenylpyrimidine-5-carboxamide is sourced from PubChem (CID 109262018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).