N-(4-methylphenyl)-4-(2-pyrrolidin-1-ylpyrimidin-4-yl)piperazine-1-carboxamide

C20H26N6O — CID 56921370

IUPACN-(4-methylphenyl)-4-(2-pyrrolidin-1-ylpyrimidin-4-yl)piperazine-1-carboxamide
SMILESCc1ccc(NC(=O)N2CCN(c3ccnc(N4CCCC4)n3)CC2)cc1
InChIInChI=1S/C20H26N6O/c1-16-4-6-17(7-5-16)22-20(27)26-14-12-24(13-15-26)18-8-9-21-19(23-18)25-10-2-3-11-25/h4-9H,2-3,10-15H2,1H3,(H,22,27)
InChIKeyOHIWRLSVTIYVIG-UHFFFAOYSA-N
MW366.47 g/mol
LogP2.74
Rot. Bonds3

About N-(4-methylphenyl)-4-(2-pyrrolidin-1-ylpyrimidin-4-yl)piperazine-1-carboxamide

N-(4-methylphenyl)-4-(2-pyrrolidin-1-ylpyrimidin-4-yl)piperazine-1-carboxamide (PubChem CID 56921370) has the molecular formula C20H26N6O and a molecular weight of 366.47 g/mol. Its IUPAC name is N-(4-methylphenyl)-4-(2-pyrrolidin-1-ylpyrimidin-4-yl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(4-methylphenyl)-4-(2-pyrrolidin-1-ylpyrimidin-4-yl)piperazine-1-carboxamide
PubChem CID56921370
Molecular FormulaC20H26N6O
Molecular Weight366.47 g/mol
Exact Mass366.22
IUPAC NameN-(4-methylphenyl)-4-(2-pyrrolidin-1-ylpyrimidin-4-yl)piperazine-1-carboxamide
SMILESCc1ccc(NC(=O)N2CCN(c3ccnc(N4CCCC4)n3)CC2)cc1
InChIInChI=1S/C20H26N6O/c1-16-4-6-17(7-5-16)22-20(27)26-14-12-24(13-15-26)18-8-9-21-19(23-18)25-10-2-3-11-25/h4-9H,2-3,10-15H2,1H3,(H,22,27)
InChIKeyOHIWRLSVTIYVIG-UHFFFAOYSA-N
XLogP2.74
TPSA64.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.47
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-phenyl-4-(2-piperidin-1-ylpyrimidin-4-yl)piperazine-1-carboxamide
CID 56921957
N-(2,4-dimethylphenyl)-4-(2-pyrrolidin-1-ylpyrimidin-4-yl)piperazine-1-carboxamide
CID 56921853
4-(2-piperidin-1-ylpyrimidin-4-yl)-N-[4-(trifluoromethoxy)phenyl]piperazine-1-carboxamide
CID 122344063
N-(4-methylphenyl)-4-(6-pyrrolidin-1-ylpyridazin-3-yl)piperazine-1-carboxamide
CID 122334278
4-[6-(azepan-1-yl)pyridazin-3-yl]-N-(4-methylphenyl)piperazine-1-carboxamide
CID 122334859
N-(3-fluorophenyl)-4-(2-pyrrolidin-1-ylpyrimidin-4-yl)piperazine-1-carboxamide
CID 56923346
N-[3,5-bis(trifluoromethyl)phenyl]-4-(2-piperidin-1-ylpyrimidin-4-yl)piperazine-1-carboxamide
CID 122344066
4-(2-pyrrolidin-1-ylpyrimidin-4-yl)-N-thiophen-2-ylpiperazine-1-carboxamide
CID 122343979
N-(2-fluorophenyl)-4-(2-pyrrolidin-1-ylpyrimidin-4-yl)piperazine-1-carboxamide
CID 56920931
N-(4-methylphenyl)-2-pyrrolidin-1-ylpyrimidine-4-carboxamide
CID 109297550
N-(2,3-dimethoxyphenyl)-4-(2-pyrrolidin-1-ylpyrimidin-4-yl)piperazine-1-carboxamide
CID 122343981
1-N,4-N-bis(4-methylphenyl)piperazine-1,4-dicarboxamide
CID 4055899

Frequently Asked Questions

What is the IUPAC name of N-(4-methylphenyl)-4-(2-pyrrolidin-1-ylpyrimidin-4-yl)piperazine-1-carboxamide?
The IUPAC name of N-(4-methylphenyl)-4-(2-pyrrolidin-1-ylpyrimidin-4-yl)piperazine-1-carboxamide (CID 56921370) is N-(4-methylphenyl)-4-(2-pyrrolidin-1-ylpyrimidin-4-yl)piperazine-1-carboxamide.
What is the SMILES notation for N-(4-methylphenyl)-4-(2-pyrrolidin-1-ylpyrimidin-4-yl)piperazine-1-carboxamide?
The canonical SMILES for N-(4-methylphenyl)-4-(2-pyrrolidin-1-ylpyrimidin-4-yl)piperazine-1-carboxamide is Cc1ccc(NC(=O)N2CCN(c3ccnc(N4CCCC4)n3)CC2)cc1.
What is the InChIKey of N-(4-methylphenyl)-4-(2-pyrrolidin-1-ylpyrimidin-4-yl)piperazine-1-carboxamide?
The InChIKey is OHIWRLSVTIYVIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N6O/c1-16-4-6-17(7-5-16)22-20(27)26-14-12-24(13-15-26)18-8-9-21-19(23-18)25-10-2-3-11-25/h4-9H,2-3,10-15H2,1H3,(H,22,27).
What are the key properties of N-(4-methylphenyl)-4-(2-pyrrolidin-1-ylpyrimidin-4-yl)piperazine-1-carboxamide?
N-(4-methylphenyl)-4-(2-pyrrolidin-1-ylpyrimidin-4-yl)piperazine-1-carboxamide has a molecular weight of 366.47 g/mol, XLogP of 2.74, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylphenyl)-4-(2-pyrrolidin-1-ylpyrimidin-4-yl)piperazine-1-carboxamide is sourced from PubChem (CID 56921370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).