N-[(2-methoxyphenyl)methyl]-1-(6-pyrrolidin-1-ylpyrimidin-4-yl)imidazole-4-carboxamide

C20H22N6O2 — CID 53172019

IUPACN-[(2-methoxyphenyl)methyl]-1-(6-pyrrolidin-1-ylpyrimidin-4-yl)imidazole-4-carboxamide
SMILESCOc1ccccc1CNC(=O)c1cn(-c2cc(N3CCCC3)ncn2)cn1
InChIInChI=1S/C20H22N6O2/c1-28-17-7-3-2-6-15(17)11-21-20(27)16-12-26(14-24-16)19-10-18(22-13-23-19)25-8-4-5-9-25/h2-3,6-7,10,12-14H,4-5,8-9,11H2,1H3,(H,21,27)
InChIKeyFQLRWZDQFITBSZ-UHFFFAOYSA-N
MW378.44 g/mol
LogP2.20
Rot. Bonds6

About N-[(2-methoxyphenyl)methyl]-1-(6-pyrrolidin-1-ylpyrimidin-4-yl)imidazole-4-carboxamide

N-[(2-methoxyphenyl)methyl]-1-(6-pyrrolidin-1-ylpyrimidin-4-yl)imidazole-4-carboxamide (PubChem CID 53172019) has the molecular formula C20H22N6O2 and a molecular weight of 378.44 g/mol. Its IUPAC name is N-[(2-methoxyphenyl)methyl]-1-(6-pyrrolidin-1-ylpyrimidin-4-yl)imidazole-4-carboxamide.

Molecular Properties

Compound NameN-[(2-methoxyphenyl)methyl]-1-(6-pyrrolidin-1-ylpyrimidin-4-yl)imidazole-4-carboxamide
PubChem CID53172019
Molecular FormulaC20H22N6O2
Molecular Weight378.44 g/mol
Exact Mass378.18
IUPAC NameN-[(2-methoxyphenyl)methyl]-1-(6-pyrrolidin-1-ylpyrimidin-4-yl)imidazole-4-carboxamide
SMILESCOc1ccccc1CNC(=O)c1cn(-c2cc(N3CCCC3)ncn2)cn1
InChIInChI=1S/C20H22N6O2/c1-28-17-7-3-2-6-15(17)11-21-20(27)16-12-26(14-24-16)19-10-18(22-13-23-19)25-8-4-5-9-25/h2-3,6-7,10,12-14H,4-5,8-9,11H2,1H3,(H,21,27)
InChIKeyFQLRWZDQFITBSZ-UHFFFAOYSA-N
XLogP2.20
TPSA85.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.44
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(3-methoxyphenyl)-1-(6-pyrrolidin-1-ylpyrimidin-4-yl)imidazole-4-carboxamide
CID 53171974
N-[(2-methoxyphenyl)methyl]-3-(2-pyrrolidin-1-yl-4-pyridinyl)propanamide
CID 53185909
N-(4-bromophenyl)-1-(6-pyrrolidin-1-ylpyrimidin-4-yl)imidazole-4-carboxamide
CID 53171985
6-(4-acetylpiperazin-1-yl)-N-[(2-methoxyphenyl)methyl]pyridazine-3-carboxamide
CID 109117087
(3R)-N-[(2-methoxyphenyl)methyl]-1-(6-pyrazol-1-ylpyrimidin-4-yl)piperidine-3-carboxamide
CID 95369281
3-(azepan-1-ylsulfonyl)-N-[(2-methoxyphenyl)methyl]-1-methylpyrazole-4-carboxamide
CID 53142922
N-[(2-methoxyphenyl)methyl]-2-methyl-6-morpholin-4-ylpyrimidine-4-carboxamide
CID 109365354
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
[1-(6-piperidin-1-ylpyrimidin-4-yl)imidazol-4-yl]-pyrrolidin-1-ylmethanone
CID 53171940
N-[(2-methoxyphenyl)methyl]-5-(3-methylpiperidin-1-yl)pyridine-2-carboxamide
CID 109190182
ethyl 4-[5-[(2-methoxyphenyl)methylcarbamoyl]pyrazin-2-yl]piperazine-1-carboxylate
CID 109282194

Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxyphenyl)methyl]-1-(6-pyrrolidin-1-ylpyrimidin-4-yl)imidazole-4-carboxamide?
The IUPAC name of N-[(2-methoxyphenyl)methyl]-1-(6-pyrrolidin-1-ylpyrimidin-4-yl)imidazole-4-carboxamide (CID 53172019) is N-[(2-methoxyphenyl)methyl]-1-(6-pyrrolidin-1-ylpyrimidin-4-yl)imidazole-4-carboxamide.
What is the SMILES notation for N-[(2-methoxyphenyl)methyl]-1-(6-pyrrolidin-1-ylpyrimidin-4-yl)imidazole-4-carboxamide?
The canonical SMILES for N-[(2-methoxyphenyl)methyl]-1-(6-pyrrolidin-1-ylpyrimidin-4-yl)imidazole-4-carboxamide is COc1ccccc1CNC(=O)c1cn(-c2cc(N3CCCC3)ncn2)cn1.
What is the InChIKey of N-[(2-methoxyphenyl)methyl]-1-(6-pyrrolidin-1-ylpyrimidin-4-yl)imidazole-4-carboxamide?
The InChIKey is FQLRWZDQFITBSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N6O2/c1-28-17-7-3-2-6-15(17)11-21-20(27)16-12-26(14-24-16)19-10-18(22-13-23-19)25-8-4-5-9-25/h2-3,6-7,10,12-14H,4-5,8-9,11H2,1H3,(H,21,27).
What are the key properties of N-[(2-methoxyphenyl)methyl]-1-(6-pyrrolidin-1-ylpyrimidin-4-yl)imidazole-4-carboxamide?
N-[(2-methoxyphenyl)methyl]-1-(6-pyrrolidin-1-ylpyrimidin-4-yl)imidazole-4-carboxamide has a molecular weight of 378.44 g/mol, XLogP of 2.20, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxyphenyl)methyl]-1-(6-pyrrolidin-1-ylpyrimidin-4-yl)imidazole-4-carboxamide is sourced from PubChem (CID 53172019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).