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

C22H26N6O3 — CID 95102205

IUPACN-(3,4-dimethoxyphenyl)-1-[6-[(2R)-2-methylpiperidin-1-yl]pyrimidin-4-yl]imidazole-4-carboxamide
SMILESCOc1ccc(NC(=O)c2cn(-c3cc(N4CCCC[C@H]4C)ncn3)cn2)cc1OC
InChIInChI=1S/C22H26N6O3/c1-15-6-4-5-9-28(15)21-11-20(23-13-24-21)27-12-17(25-14-27)22(29)26-16-7-8-18(30-2)19(10-16)31-3/h7-8,10-15H,4-6,9H2,1-3H3,(H,26,29)/t15-/m1/s1
InChIKeyNBJLXEXYOIVCCR-OAHLLOKOSA-N
MW422.49 g/mol
LogP3.31
Rot. Bonds6

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

N-(3,4-dimethoxyphenyl)-1-[6-[(2R)-2-methylpiperidin-1-yl]pyrimidin-4-yl]imidazole-4-carboxamide (PubChem CID 95102205) has the molecular formula C22H26N6O3 and a molecular weight of 422.49 g/mol. Its IUPAC name is N-(3,4-dimethoxyphenyl)-1-[6-[(2R)-2-methylpiperidin-1-yl]pyrimidin-4-yl]imidazole-4-carboxamide.

Molecular Properties

Compound NameN-(3,4-dimethoxyphenyl)-1-[6-[(2R)-2-methylpiperidin-1-yl]pyrimidin-4-yl]imidazole-4-carboxamide
PubChem CID95102205
Molecular FormulaC22H26N6O3
Molecular Weight422.49 g/mol
Exact Mass422.21
IUPAC NameN-(3,4-dimethoxyphenyl)-1-[6-[(2R)-2-methylpiperidin-1-yl]pyrimidin-4-yl]imidazole-4-carboxamide
SMILESCOc1ccc(NC(=O)c2cn(-c3cc(N4CCCC[C@H]4C)ncn3)cn2)cc1OC
InChIInChI=1S/C22H26N6O3/c1-15-6-4-5-9-28(15)21-11-20(23-13-24-21)27-12-17(25-14-27)22(29)26-16-7-8-18(30-2)19(10-16)31-3/h7-8,10-15H,4-6,9H2,1-3H3,(H,26,29)/t15-/m1/s1
InChIKeyNBJLXEXYOIVCCR-OAHLLOKOSA-N
XLogP3.31
TPSA94.40 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.49
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-(3,4-dimethoxyphenyl)-1-[6-[(2R)-2-methylpiperidin-1-yl]pyrimidin-4-yl]imidazole-4-carboxamide with MolForge

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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-methylphenyl)-1-[6-(2-methylpiperidin-1-yl)pyrimidin-4-yl]imidazole-4-carboxamide
CID 53172039
N-(3,4-dimethoxyphenyl)-1-[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]imidazole-4-carboxamide
CID 53172007
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-(4-bromophenyl)-1-(6-pyrrolidin-1-ylpyrimidin-4-yl)imidazole-4-carboxamide
CID 53171985
N-phenyl-1-(6-pyrrolidin-1-ylpyrimidin-4-yl)imidazole-4-carboxamide
CID 53171968
(2S)-N-(3,4-dimethoxyphenyl)-2-methylpiperidine-1-carboxamide
CID 1474768
6-[(2S)-2-methylpiperidin-1-yl]pyrimidine-4-carboxylic acid
CID 129353783
5-(azepan-1-yl)-N-(3,4-dimethoxyphenyl)pyrazine-2-carboxamide
CID 109289360
N-[(2-methoxyphenyl)methyl]-1-(6-pyrrolidin-1-ylpyrimidin-4-yl)imidazole-4-carboxamide
CID 53172019
N-(3,4-dimethylphenyl)-2-[6-[(2R)-2-methylpiperidin-1-yl]pyrimidin-4-yl]sulfanylacetamide
CID 95093333

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethoxyphenyl)-1-[6-[(2R)-2-methylpiperidin-1-yl]pyrimidin-4-yl]imidazole-4-carboxamide?
The IUPAC name of N-(3,4-dimethoxyphenyl)-1-[6-[(2R)-2-methylpiperidin-1-yl]pyrimidin-4-yl]imidazole-4-carboxamide (CID 95102205) is N-(3,4-dimethoxyphenyl)-1-[6-[(2R)-2-methylpiperidin-1-yl]pyrimidin-4-yl]imidazole-4-carboxamide.
What is the SMILES notation for N-(3,4-dimethoxyphenyl)-1-[6-[(2R)-2-methylpiperidin-1-yl]pyrimidin-4-yl]imidazole-4-carboxamide?
The canonical SMILES for N-(3,4-dimethoxyphenyl)-1-[6-[(2R)-2-methylpiperidin-1-yl]pyrimidin-4-yl]imidazole-4-carboxamide is COc1ccc(NC(=O)c2cn(-c3cc(N4CCCC[C@H]4C)ncn3)cn2)cc1OC.
What is the InChIKey of N-(3,4-dimethoxyphenyl)-1-[6-[(2R)-2-methylpiperidin-1-yl]pyrimidin-4-yl]imidazole-4-carboxamide?
The InChIKey is NBJLXEXYOIVCCR-OAHLLOKOSA-N. The full InChI is InChI=1S/C22H26N6O3/c1-15-6-4-5-9-28(15)21-11-20(23-13-24-21)27-12-17(25-14-27)22(29)26-16-7-8-18(30-2)19(10-16)31-3/h7-8,10-15H,4-6,9H2,1-3H3,(H,26,29)/t15-/m1/s1.
What are the key properties of N-(3,4-dimethoxyphenyl)-1-[6-[(2R)-2-methylpiperidin-1-yl]pyrimidin-4-yl]imidazole-4-carboxamide?
N-(3,4-dimethoxyphenyl)-1-[6-[(2R)-2-methylpiperidin-1-yl]pyrimidin-4-yl]imidazole-4-carboxamide has a molecular weight of 422.49 g/mol, XLogP of 3.31, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethoxyphenyl)-1-[6-[(2R)-2-methylpiperidin-1-yl]pyrimidin-4-yl]imidazole-4-carboxamide is sourced from PubChem (CID 95102205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).