N-(3-methoxyphenyl)-4-methyl-5-oxo-1-propan-2-yl-6,7-dihydroimidazo[4,5-b]pyridine-6-carboxamide

C18H22N4O3 — CID 134075293

IUPACN-(3-methoxyphenyl)-4-methyl-5-oxo-1-propan-2-yl-6,7-dihydroimidazo[4,5-b]pyridine-6-carboxamide
SMILESCOc1cccc(NC(=O)C2Cc3c(ncn3C(C)C)N(C)C2=O)c1
InChIInChI=1S/C18H22N4O3/c1-11(2)22-10-19-16-15(22)9-14(18(24)21(16)3)17(23)20-12-6-5-7-13(8-12)25-4/h5-8,10-11,14H,9H2,1-4H3,(H,20,23)
InChIKeyZIKBGQBKGCAWMU-UHFFFAOYSA-N
MW342.40 g/mol
LogP2.25
Rot. Bonds4

About N-(3-methoxyphenyl)-4-methyl-5-oxo-1-propan-2-yl-6,7-dihydroimidazo[4,5-b]pyridine-6-carboxamide

N-(3-methoxyphenyl)-4-methyl-5-oxo-1-propan-2-yl-6,7-dihydroimidazo[4,5-b]pyridine-6-carboxamide (PubChem CID 134075293) has the molecular formula C18H22N4O3 and a molecular weight of 342.40 g/mol. Its IUPAC name is N-(3-methoxyphenyl)-4-methyl-5-oxo-1-propan-2-yl-6,7-dihydroimidazo[4,5-b]pyridine-6-carboxamide.

Molecular Properties

Compound NameN-(3-methoxyphenyl)-4-methyl-5-oxo-1-propan-2-yl-6,7-dihydroimidazo[4,5-b]pyridine-6-carboxamide
PubChem CID134075293
Molecular FormulaC18H22N4O3
Molecular Weight342.40 g/mol
Exact Mass342.17
IUPAC NameN-(3-methoxyphenyl)-4-methyl-5-oxo-1-propan-2-yl-6,7-dihydroimidazo[4,5-b]pyridine-6-carboxamide
SMILESCOc1cccc(NC(=O)C2Cc3c(ncn3C(C)C)N(C)C2=O)c1
InChIInChI=1S/C18H22N4O3/c1-11(2)22-10-19-16-15(22)9-14(18(24)21(16)3)17(23)20-12-6-5-7-13(8-12)25-4/h5-8,10-11,14H,9H2,1-4H3,(H,20,23)
InChIKeyZIKBGQBKGCAWMU-UHFFFAOYSA-N
XLogP2.25
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

(6S)-4-benzyl-N-(3-methoxyphenyl)-5-oxo-1-propan-2-yl-6,7-dihydroimidazo[4,5-b]pyridine-6-carboxamide
CID 97442604
N-(3-methoxyphenyl)-6-methyl-4-oxo-3-propan-2-ylthieno[3,2-d]pyrimidine-7-carboxamide
CID 53197396
(7R)-N-(3-methoxyphenyl)-2-(4-methoxyphenyl)-5-oxo-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide
CID 135938263
N-[4-[(3-methoxyphenyl)carbamoyl]phenyl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide
CID 17119791
1-butan-2-yl-N-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 113182204
N-(3-methoxyphenyl)-2-(4-oxoquinazolin-3-yl)propanamide
CID 2918932
N-(3-methoxyphenyl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
CID 65261026
(3R)-N-(3-methoxyphenyl)-5-oxo-1-[(1S)-1-phenylethyl]pyrrolidine-3-carboxamide
CID 1260369
(3S)-N-(3-methoxyphenyl)-1-[(2R)-1-methoxypropan-2-yl]-5-oxopyrrolidine-3-carboxamide
CID 9365141
1-(3-methoxyphenyl)-3-(5-oxo-1-propan-2-ylpyrrolidin-3-yl)urea
CID 108876863
(5S)-N-(3-methoxyphenyl)-4,7-dioxo-2-piperidin-1-yl-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide
CID 135929839
4-hydroxy-N-(3-methoxyphenyl)pyrrolidine-2-carboxamide;hydrochloride
CID 119670498

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxyphenyl)-4-methyl-5-oxo-1-propan-2-yl-6,7-dihydroimidazo[4,5-b]pyridine-6-carboxamide?
The IUPAC name of N-(3-methoxyphenyl)-4-methyl-5-oxo-1-propan-2-yl-6,7-dihydroimidazo[4,5-b]pyridine-6-carboxamide (CID 134075293) is N-(3-methoxyphenyl)-4-methyl-5-oxo-1-propan-2-yl-6,7-dihydroimidazo[4,5-b]pyridine-6-carboxamide.
What is the SMILES notation for N-(3-methoxyphenyl)-4-methyl-5-oxo-1-propan-2-yl-6,7-dihydroimidazo[4,5-b]pyridine-6-carboxamide?
The canonical SMILES for N-(3-methoxyphenyl)-4-methyl-5-oxo-1-propan-2-yl-6,7-dihydroimidazo[4,5-b]pyridine-6-carboxamide is COc1cccc(NC(=O)C2Cc3c(ncn3C(C)C)N(C)C2=O)c1.
What is the InChIKey of N-(3-methoxyphenyl)-4-methyl-5-oxo-1-propan-2-yl-6,7-dihydroimidazo[4,5-b]pyridine-6-carboxamide?
The InChIKey is ZIKBGQBKGCAWMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O3/c1-11(2)22-10-19-16-15(22)9-14(18(24)21(16)3)17(23)20-12-6-5-7-13(8-12)25-4/h5-8,10-11,14H,9H2,1-4H3,(H,20,23).
What are the key properties of N-(3-methoxyphenyl)-4-methyl-5-oxo-1-propan-2-yl-6,7-dihydroimidazo[4,5-b]pyridine-6-carboxamide?
N-(3-methoxyphenyl)-4-methyl-5-oxo-1-propan-2-yl-6,7-dihydroimidazo[4,5-b]pyridine-6-carboxamide has a molecular weight of 342.40 g/mol, XLogP of 2.25, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxyphenyl)-4-methyl-5-oxo-1-propan-2-yl-6,7-dihydroimidazo[4,5-b]pyridine-6-carboxamide is sourced from PubChem (CID 134075293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).