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

C22H28N4O3 — CID 53191063

IUPACN-[[3-ethyl-5-(4-methoxybenzoyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-2-yl]methyl]cyclobutanecarboxamide
SMILESCCn1c(CNC(=O)C2CCC2)nc2c1CN(C(=O)c1ccc(OC)cc1)CC2
InChIInChI=1S/C22H28N4O3/c1-3-26-19-14-25(22(28)16-7-9-17(29-2)10-8-16)12-11-18(19)24-20(26)13-23-21(27)15-5-4-6-15/h7-10,15H,3-6,11-14H2,1-2H3,(H,23,27)
InChIKeyDBHDZZMAZWGSHT-UHFFFAOYSA-N
MW396.49 g/mol
LogP2.53
Rot. Bonds6

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

N-[[3-ethyl-5-(4-methoxybenzoyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-2-yl]methyl]cyclobutanecarboxamide (PubChem CID 53191063) has the molecular formula C22H28N4O3 and a molecular weight of 396.49 g/mol. Its IUPAC name is N-[[3-ethyl-5-(4-methoxybenzoyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-2-yl]methyl]cyclobutanecarboxamide.

Molecular Properties

Compound NameN-[[3-ethyl-5-(4-methoxybenzoyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-2-yl]methyl]cyclobutanecarboxamide
PubChem CID53191063
Molecular FormulaC22H28N4O3
Molecular Weight396.49 g/mol
Exact Mass396.22
IUPAC NameN-[[3-ethyl-5-(4-methoxybenzoyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-2-yl]methyl]cyclobutanecarboxamide
SMILESCCn1c(CNC(=O)C2CCC2)nc2c1CN(C(=O)c1ccc(OC)cc1)CC2
InChIInChI=1S/C22H28N4O3/c1-3-26-19-14-25(22(28)16-7-9-17(29-2)10-8-16)12-11-18(19)24-20(26)13-23-21(27)15-5-4-6-15/h7-10,15H,3-6,11-14H2,1-2H3,(H,23,27)
InChIKeyDBHDZZMAZWGSHT-UHFFFAOYSA-N
XLogP2.53
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.49
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[3-methyl-5-(4-methylbenzoyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-2-yl]methyl]cyclobutanecarboxamide
CID 83275824
1-(4-methoxybenzoyl)-N-(3-methylbutyl)piperidine-4-carboxamide
CID 113005518
1-(4-methoxybenzoyl)-N-pentylpiperidine-4-carboxamide
CID 113005591
N-[[3-ethyl-5-(2-fluorobenzoyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-2-yl]methyl]propanamide
CID 71836358
(4-methoxyphenyl)-(3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)methanone
CID 110872625
1-(4-methoxybenzoyl)-N-(3-propan-2-yloxypropyl)piperidine-4-carboxamide
CID 94180810
(2-bromo-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)-(4-ethoxyphenyl)methanone
CID 112536212
N-[(4-methoxyphenyl)methyl]-1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)benzoyl]piperidine-4-carboxamide
CID 46361301
(4-methoxyphenyl)-pyrrolidin-1-yl(111C)methanone
CID 10976580
N-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-1-(4-methylbenzoyl)piperidine-4-carboxamide
CID 20956106
N-[(1-ethylbenzimidazol-2-yl)methyl]-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide
CID 55498979
N-[(4-methoxyphenyl)methyl]-4-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxamide
CID 109145605

Frequently Asked Questions

What is the IUPAC name of N-[[3-ethyl-5-(4-methoxybenzoyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-2-yl]methyl]cyclobutanecarboxamide?
The IUPAC name of N-[[3-ethyl-5-(4-methoxybenzoyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-2-yl]methyl]cyclobutanecarboxamide (CID 53191063) is N-[[3-ethyl-5-(4-methoxybenzoyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-2-yl]methyl]cyclobutanecarboxamide.
What is the SMILES notation for N-[[3-ethyl-5-(4-methoxybenzoyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-2-yl]methyl]cyclobutanecarboxamide?
The canonical SMILES for N-[[3-ethyl-5-(4-methoxybenzoyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-2-yl]methyl]cyclobutanecarboxamide is CCn1c(CNC(=O)C2CCC2)nc2c1CN(C(=O)c1ccc(OC)cc1)CC2.
What is the InChIKey of N-[[3-ethyl-5-(4-methoxybenzoyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-2-yl]methyl]cyclobutanecarboxamide?
The InChIKey is DBHDZZMAZWGSHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O3/c1-3-26-19-14-25(22(28)16-7-9-17(29-2)10-8-16)12-11-18(19)24-20(26)13-23-21(27)15-5-4-6-15/h7-10,15H,3-6,11-14H2,1-2H3,(H,23,27).
What are the key properties of N-[[3-ethyl-5-(4-methoxybenzoyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-2-yl]methyl]cyclobutanecarboxamide?
N-[[3-ethyl-5-(4-methoxybenzoyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-2-yl]methyl]cyclobutanecarboxamide has a molecular weight of 396.49 g/mol, XLogP of 2.53, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-ethyl-5-(4-methoxybenzoyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-2-yl]methyl]cyclobutanecarboxamide is sourced from PubChem (CID 53191063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).