N-(3-methylphenyl)-1-[6-(2-methylpiperidin-1-yl)pyrimidin-4-yl]imidazole-4-carboxamide

C21H24N6O — CID 53172039

IUPACN-(3-methylphenyl)-1-[6-(2-methylpiperidin-1-yl)pyrimidin-4-yl]imidazole-4-carboxamide
SMILESCc1cccc(NC(=O)c2cn(-c3cc(N4CCCCC4C)ncn3)cn2)c1
InChIInChI=1S/C21H24N6O/c1-15-6-5-8-17(10-15)25-21(28)18-12-26(14-24-18)19-11-20(23-13-22-19)27-9-4-3-7-16(27)2/h5-6,8,10-14,16H,3-4,7,9H2,1-2H3,(H,25,28)
InChIKeySNSUEDFNGOOBRX-UHFFFAOYSA-N
MW376.46 g/mol
LogP3.60
Rot. Bonds4

About N-(3-methylphenyl)-1-[6-(2-methylpiperidin-1-yl)pyrimidin-4-yl]imidazole-4-carboxamide

N-(3-methylphenyl)-1-[6-(2-methylpiperidin-1-yl)pyrimidin-4-yl]imidazole-4-carboxamide (PubChem CID 53172039) has the molecular formula C21H24N6O and a molecular weight of 376.46 g/mol. Its IUPAC name is N-(3-methylphenyl)-1-[6-(2-methylpiperidin-1-yl)pyrimidin-4-yl]imidazole-4-carboxamide.

Molecular Properties

Compound NameN-(3-methylphenyl)-1-[6-(2-methylpiperidin-1-yl)pyrimidin-4-yl]imidazole-4-carboxamide
PubChem CID53172039
Molecular FormulaC21H24N6O
Molecular Weight376.46 g/mol
Exact Mass376.20
IUPAC NameN-(3-methylphenyl)-1-[6-(2-methylpiperidin-1-yl)pyrimidin-4-yl]imidazole-4-carboxamide
SMILESCc1cccc(NC(=O)c2cn(-c3cc(N4CCCCC4C)ncn3)cn2)c1
InChIInChI=1S/C21H24N6O/c1-15-6-5-8-17(10-15)25-21(28)18-12-26(14-24-18)19-11-20(23-13-22-19)27-9-4-3-7-16(27)2/h5-6,8,10-14,16H,3-4,7,9H2,1-2H3,(H,25,28)
InChIKeySNSUEDFNGOOBRX-UHFFFAOYSA-N
XLogP3.60
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-fluorophenyl)-1-[6-[(2S)-2-methylpiperidin-1-yl]pyrimidin-4-yl]imidazole-4-carboxamide
CID 95102212
N-(3,4-dimethoxyphenyl)-1-[6-[(2R)-2-methylpiperidin-1-yl]pyrimidin-4-yl]imidazole-4-carboxamide
CID 95102205
N-(3-methylphenyl)-1-(6-thiomorpholin-4-ylpyrimidin-4-yl)imidazole-4-carboxamide
CID 53172092
N-[(4-fluorophenyl)methyl]-1-[6-[(2R)-2-methylpiperidin-1-yl]pyrimidin-4-yl]imidazole-4-carboxamide
CID 95102215
N-(3-methoxyphenyl)-1-(6-pyrrolidin-1-ylpyrimidin-4-yl)imidazole-4-carboxamide
CID 53171974
N-phenyl-1-(6-pyrrolidin-1-ylpyrimidin-4-yl)imidazole-4-carboxamide
CID 53171968
N-(4-bromophenyl)-1-(6-pyrrolidin-1-ylpyrimidin-4-yl)imidazole-4-carboxamide
CID 53171985
N-(3-methylphenyl)-1-[5-[(3S)-3-methylpiperidin-1-yl]sulfonyl-2-pyridinyl]imidazole-4-carboxamide
CID 95104537
N-(3,4-dimethoxyphenyl)-1-[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]imidazole-4-carboxamide
CID 53172007
6-[(2S)-2-methylpiperidin-1-yl]pyrimidine-4-carboxylic acid
CID 129353783
N-[6-(2-methylpiperidin-1-yl)pyrimidin-4-yl]benzamide
CID 65389198
N-(3-chlorophenyl)-1-[6-(dimethylamino)pyrimidin-4-yl]imidazole-4-carboxamide
CID 53172146

Frequently Asked Questions

What is the IUPAC name of N-(3-methylphenyl)-1-[6-(2-methylpiperidin-1-yl)pyrimidin-4-yl]imidazole-4-carboxamide?
The IUPAC name of N-(3-methylphenyl)-1-[6-(2-methylpiperidin-1-yl)pyrimidin-4-yl]imidazole-4-carboxamide (CID 53172039) is N-(3-methylphenyl)-1-[6-(2-methylpiperidin-1-yl)pyrimidin-4-yl]imidazole-4-carboxamide.
What is the SMILES notation for N-(3-methylphenyl)-1-[6-(2-methylpiperidin-1-yl)pyrimidin-4-yl]imidazole-4-carboxamide?
The canonical SMILES for N-(3-methylphenyl)-1-[6-(2-methylpiperidin-1-yl)pyrimidin-4-yl]imidazole-4-carboxamide is Cc1cccc(NC(=O)c2cn(-c3cc(N4CCCCC4C)ncn3)cn2)c1.
What is the InChIKey of N-(3-methylphenyl)-1-[6-(2-methylpiperidin-1-yl)pyrimidin-4-yl]imidazole-4-carboxamide?
The InChIKey is SNSUEDFNGOOBRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N6O/c1-15-6-5-8-17(10-15)25-21(28)18-12-26(14-24-18)19-11-20(23-13-22-19)27-9-4-3-7-16(27)2/h5-6,8,10-14,16H,3-4,7,9H2,1-2H3,(H,25,28).
What are the key properties of N-(3-methylphenyl)-1-[6-(2-methylpiperidin-1-yl)pyrimidin-4-yl]imidazole-4-carboxamide?
N-(3-methylphenyl)-1-[6-(2-methylpiperidin-1-yl)pyrimidin-4-yl]imidazole-4-carboxamide has a molecular weight of 376.46 g/mol, XLogP of 3.60, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylphenyl)-1-[6-(2-methylpiperidin-1-yl)pyrimidin-4-yl]imidazole-4-carboxamide is sourced from PubChem (CID 53172039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).