N-(3-methoxyphenyl)-1-(6-pyrrolidin-1-ylpyrimidin-4-yl)imidazole-4-carboxamide

C19H20N6O2 — CID 53171974

IUPACN-(3-methoxyphenyl)-1-(6-pyrrolidin-1-ylpyrimidin-4-yl)imidazole-4-carboxamide
SMILESCOc1cccc(NC(=O)c2cn(-c3cc(N4CCCC4)ncn3)cn2)c1
InChIInChI=1S/C19H20N6O2/c1-27-15-6-4-5-14(9-15)23-19(26)16-11-25(13-22-16)18-10-17(20-12-21-18)24-7-2-3-8-24/h4-6,9-13H,2-3,7-8H2,1H3,(H,23,26)
InChIKeyHHQQYJLYTVDABU-UHFFFAOYSA-N
MW364.41 g/mol
LogP2.52
Rot. Bonds5

About N-(3-methoxyphenyl)-1-(6-pyrrolidin-1-ylpyrimidin-4-yl)imidazole-4-carboxamide

N-(3-methoxyphenyl)-1-(6-pyrrolidin-1-ylpyrimidin-4-yl)imidazole-4-carboxamide (PubChem CID 53171974) has the molecular formula C19H20N6O2 and a molecular weight of 364.41 g/mol. Its IUPAC name is N-(3-methoxyphenyl)-1-(6-pyrrolidin-1-ylpyrimidin-4-yl)imidazole-4-carboxamide.

Molecular Properties

Compound NameN-(3-methoxyphenyl)-1-(6-pyrrolidin-1-ylpyrimidin-4-yl)imidazole-4-carboxamide
PubChem CID53171974
Molecular FormulaC19H20N6O2
Molecular Weight364.41 g/mol
Exact Mass364.16
IUPAC NameN-(3-methoxyphenyl)-1-(6-pyrrolidin-1-ylpyrimidin-4-yl)imidazole-4-carboxamide
SMILESCOc1cccc(NC(=O)c2cn(-c3cc(N4CCCC4)ncn3)cn2)c1
InChIInChI=1S/C19H20N6O2/c1-27-15-6-4-5-14(9-15)23-19(26)16-11-25(13-22-16)18-10-17(20-12-21-18)24-7-2-3-8-24/h4-6,9-13H,2-3,7-8H2,1H3,(H,23,26)
InChIKeyHHQQYJLYTVDABU-UHFFFAOYSA-N
XLogP2.52
TPSA85.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.41
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

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-(6-thiomorpholin-4-ylpyrimidin-4-yl)imidazole-4-carboxamide
CID 53172092
N-[(2-methoxyphenyl)methyl]-1-(6-pyrrolidin-1-ylpyrimidin-4-yl)imidazole-4-carboxamide
CID 53172019
N-(3,4-dimethoxyphenyl)-1-[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]imidazole-4-carboxamide
CID 53172007
N-(3-methoxyphenyl)-4-pyrrolidin-1-ylpyridine-2-carboxamide
CID 109203921
N-(3-methylphenyl)-1-[6-(2-methylpiperidin-1-yl)pyrimidin-4-yl]imidazole-4-carboxamide
CID 53172039
N-[3-[2-(dimethylamino)-2-oxoethoxy]phenyl]-6-piperidin-1-ylpyrimidine-4-carboxamide
CID 68556711
N-(3,4-dimethoxyphenyl)-1-[6-[(2R)-2-methylpiperidin-1-yl]pyrimidin-4-yl]imidazole-4-carboxamide
CID 95102205
N-(3-acetylphenyl)-6-piperidin-1-ylpyrimidine-4-carboxamide
CID 91628628
N-(3-chlorophenyl)-1-[6-(dimethylamino)pyrimidin-4-yl]imidazole-4-carboxamide
CID 53172146
5-(4-acetylpiperazin-1-yl)-N-(3-methoxyphenyl)pyrazine-2-carboxamide
CID 109279251

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxyphenyl)-1-(6-pyrrolidin-1-ylpyrimidin-4-yl)imidazole-4-carboxamide?
The IUPAC name of N-(3-methoxyphenyl)-1-(6-pyrrolidin-1-ylpyrimidin-4-yl)imidazole-4-carboxamide (CID 53171974) is N-(3-methoxyphenyl)-1-(6-pyrrolidin-1-ylpyrimidin-4-yl)imidazole-4-carboxamide.
What is the SMILES notation for N-(3-methoxyphenyl)-1-(6-pyrrolidin-1-ylpyrimidin-4-yl)imidazole-4-carboxamide?
The canonical SMILES for N-(3-methoxyphenyl)-1-(6-pyrrolidin-1-ylpyrimidin-4-yl)imidazole-4-carboxamide is COc1cccc(NC(=O)c2cn(-c3cc(N4CCCC4)ncn3)cn2)c1.
What is the InChIKey of N-(3-methoxyphenyl)-1-(6-pyrrolidin-1-ylpyrimidin-4-yl)imidazole-4-carboxamide?
The InChIKey is HHQQYJLYTVDABU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N6O2/c1-27-15-6-4-5-14(9-15)23-19(26)16-11-25(13-22-16)18-10-17(20-12-21-18)24-7-2-3-8-24/h4-6,9-13H,2-3,7-8H2,1H3,(H,23,26).
What are the key properties of N-(3-methoxyphenyl)-1-(6-pyrrolidin-1-ylpyrimidin-4-yl)imidazole-4-carboxamide?
N-(3-methoxyphenyl)-1-(6-pyrrolidin-1-ylpyrimidin-4-yl)imidazole-4-carboxamide has a molecular weight of 364.41 g/mol, XLogP of 2.52, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxyphenyl)-1-(6-pyrrolidin-1-ylpyrimidin-4-yl)imidazole-4-carboxamide is sourced from PubChem (CID 53171974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).