N-[[3-methyl-5-(4-methylbenzoyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-2-yl]methyl]cyclobutanecarboxamide

C21H26N4O2 — CID 83275824

IUPACN-[[3-methyl-5-(4-methylbenzoyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-2-yl]methyl]cyclobutanecarboxamide
SMILESCc1ccc(C(=O)N2CCc3nc(CNC(=O)C4CCC4)n(C)c3C2)cc1
InChIInChI=1S/C21H26N4O2/c1-14-6-8-16(9-7-14)21(27)25-11-10-17-18(13-25)24(2)19(23-17)12-22-20(26)15-4-3-5-15/h6-9,15H,3-5,10-13H2,1-2H3,(H,22,26)
InChIKeyDOWGWUMPJULHOH-UHFFFAOYSA-N
MW366.47 g/mol
LogP2.34
Rot. Bonds4

About N-[[3-methyl-5-(4-methylbenzoyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-2-yl]methyl]cyclobutanecarboxamide

N-[[3-methyl-5-(4-methylbenzoyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-2-yl]methyl]cyclobutanecarboxamide (PubChem CID 83275824) has the molecular formula C21H26N4O2 and a molecular weight of 366.47 g/mol. Its IUPAC name is N-[[3-methyl-5-(4-methylbenzoyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-2-yl]methyl]cyclobutanecarboxamide.

Molecular Properties

Compound NameN-[[3-methyl-5-(4-methylbenzoyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-2-yl]methyl]cyclobutanecarboxamide
PubChem CID83275824
Molecular FormulaC21H26N4O2
Molecular Weight366.47 g/mol
Exact Mass366.21
IUPAC NameN-[[3-methyl-5-(4-methylbenzoyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-2-yl]methyl]cyclobutanecarboxamide
SMILESCc1ccc(C(=O)N2CCc3nc(CNC(=O)C4CCC4)n(C)c3C2)cc1
InChIInChI=1S/C21H26N4O2/c1-14-6-8-16(9-7-14)21(27)25-11-10-17-18(13-25)24(2)19(23-17)12-22-20(26)15-4-3-5-15/h6-9,15H,3-5,10-13H2,1-2H3,(H,22,26)
InChIKeyDOWGWUMPJULHOH-UHFFFAOYSA-N
XLogP2.34
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.47
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[3-ethyl-5-(4-methoxybenzoyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-2-yl]methyl]cyclobutanecarboxamide
CID 53191063
N-[[5-(5-chlorothiophen-2-yl)sulfonyl-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-2-yl]methyl]cyclobutanecarboxamide
CID 53191095
N-[[5-[(4-chlorophenyl)methylsulfonyl]-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-2-yl]methyl]cyclobutanecarboxamide
CID 53191098
N-[[5-(2-methoxybenzoyl)-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-2-yl]methyl]propanamide
CID 71836363
N-[2-[1-(4-methylbenzoyl)piperidin-4-yl]ethyl]cyclohexanecarboxamide
CID 46378930
N-[1-(4-methylbenzoyl)piperidin-4-yl]cyclobutanecarboxamide
CID 110820327
1-benzoyl-N-[(1-methylbenzimidazol-2-yl)methyl]-4-oxo-1,5-diazacycloundecane-8-carboxamide
CID 110200066
1-(4-fluorobenzoyl)-N-[(1-methylbenzimidazol-2-yl)methyl]piperidine-3-carboxamide
CID 55454693
3,4-dimethyl-N-[(1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)methyl]benzamide
CID 113081625
2-[1-(4-methylbenzoyl)piperidin-4-yl]-N-(2-pyrrolidin-1-ylethyl)acetamide
CID 46295063
1-(4-methylbenzoyl)-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide
CID 796244
(3R)-1-(4-methylbenzoyl)-N-[(5-methyl-1,2-oxazol-3-yl)methyl]piperidine-3-carboxamide
CID 95190901

Frequently Asked Questions

What is the IUPAC name of N-[[3-methyl-5-(4-methylbenzoyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-2-yl]methyl]cyclobutanecarboxamide?
The IUPAC name of N-[[3-methyl-5-(4-methylbenzoyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-2-yl]methyl]cyclobutanecarboxamide (CID 83275824) is N-[[3-methyl-5-(4-methylbenzoyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-2-yl]methyl]cyclobutanecarboxamide.
What is the SMILES notation for N-[[3-methyl-5-(4-methylbenzoyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-2-yl]methyl]cyclobutanecarboxamide?
The canonical SMILES for N-[[3-methyl-5-(4-methylbenzoyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-2-yl]methyl]cyclobutanecarboxamide is Cc1ccc(C(=O)N2CCc3nc(CNC(=O)C4CCC4)n(C)c3C2)cc1.
What is the InChIKey of N-[[3-methyl-5-(4-methylbenzoyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-2-yl]methyl]cyclobutanecarboxamide?
The InChIKey is DOWGWUMPJULHOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O2/c1-14-6-8-16(9-7-14)21(27)25-11-10-17-18(13-25)24(2)19(23-17)12-22-20(26)15-4-3-5-15/h6-9,15H,3-5,10-13H2,1-2H3,(H,22,26).
What are the key properties of N-[[3-methyl-5-(4-methylbenzoyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-2-yl]methyl]cyclobutanecarboxamide?
N-[[3-methyl-5-(4-methylbenzoyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-2-yl]methyl]cyclobutanecarboxamide has a molecular weight of 366.47 g/mol, XLogP of 2.34, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-methyl-5-(4-methylbenzoyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-2-yl]methyl]cyclobutanecarboxamide is sourced from PubChem (CID 83275824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).