3-(3-aminophenyl)-1-[[4-(dimethylamino)phenyl]methyl]imidazo[4,5-b]pyridin-2-one

C21H21N5O — CID 139932415

IUPAC3-(3-aminophenyl)-1-[[4-(dimethylamino)phenyl]methyl]imidazo[4,5-b]pyridin-2-one
SMILESCN(C)c1ccc(Cn2c(=O)n(-c3cccc(N)c3)c3ncccc32)cc1
InChIInChI=1S/C21H21N5O/c1-24(2)17-10-8-15(9-11-17)14-25-19-7-4-12-23-20(19)26(21(25)27)18-6-3-5-16(22)13-18/h3-13H,14,22H2,1-2H3
InChIKeyPUSQWUJZRXCGOF-UHFFFAOYSA-N
MW359.43 g/mol
LogP2.88
Rot. Bonds4

About 3-(3-aminophenyl)-1-[[4-(dimethylamino)phenyl]methyl]imidazo[4,5-b]pyridin-2-one

3-(3-aminophenyl)-1-[[4-(dimethylamino)phenyl]methyl]imidazo[4,5-b]pyridin-2-one (PubChem CID 139932415) has the molecular formula C21H21N5O and a molecular weight of 359.43 g/mol. Its IUPAC name is 3-(3-aminophenyl)-1-[[4-(dimethylamino)phenyl]methyl]imidazo[4,5-b]pyridin-2-one.

Molecular Properties

Compound Name3-(3-aminophenyl)-1-[[4-(dimethylamino)phenyl]methyl]imidazo[4,5-b]pyridin-2-one
PubChem CID139932415
Molecular FormulaC21H21N5O
Molecular Weight359.43 g/mol
Exact Mass359.17
IUPAC Name3-(3-aminophenyl)-1-[[4-(dimethylamino)phenyl]methyl]imidazo[4,5-b]pyridin-2-one
SMILESCN(C)c1ccc(Cn2c(=O)n(-c3cccc(N)c3)c3ncccc32)cc1
InChIInChI=1S/C21H21N5O/c1-24(2)17-10-8-15(9-11-17)14-25-19-7-4-12-23-20(19)26(21(25)27)18-6-3-5-16(22)13-18/h3-13H,14,22H2,1-2H3
InChIKeyPUSQWUJZRXCGOF-UHFFFAOYSA-N
XLogP2.88
TPSA69.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-(3-acetylphenyl)-1-[(4-aminophenyl)methyl]imidazo[4,5-b]pyridin-2-one
CID 139932464
1-[[4-(dimethylamino)phenyl]methyl]-3-(2-nitrophenyl)imidazo[4,5-b]pyridin-2-one
CID 139932396
3-(3-acetylphenyl)-1-(pyridin-4-ylmethyl)imidazo[4,5-b]pyridin-2-one
CID 139932433
N,2-dimethyl-N-[4-[[3-(3-nitrophenyl)-2-oxoimidazo[4,5-b]pyridin-1-yl]methyl]phenyl]propanamide
CID 139932436
3-(4-nitrophenyl)-1-(pyridin-4-ylmethyl)imidazo[4,5-b]pyridin-2-one
CID 139932468
N-[2-(1-benzyl-2-oxoimidazo[4,5-b]pyridin-3-yl)ethyl]-3-(dimethylamino)benzamide
CID 71841244
N-benzyl-N-methyl-2-(2-oxo-3-phenylimidazo[4,5-b]pyridin-1-yl)acetamide
CID 53159300
1-[3-(oxidoamino)phenyl]-3-(pyridin-4-ylmethyl)pyrido[2,3-d]pyrimidine-2,4-dione
CID 142045172
N-[[4-(dimethylamino)phenyl]methyl]-2-(4-ethyl-2,3-dioxopyrido[2,3-b]pyrazin-1-yl)acetamide
CID 53001110
1-(3-aminophenyl)-3-methylbenzimidazol-2-one
CID 82513370
N-(2-ethylphenyl)-2-(2-oxo-3-phenylimidazo[4,5-b]pyridin-1-yl)acetamide
CID 71841504
1,3-bis[3-(trifluoromethyl)phenyl]imidazo[4,5-b]pyridin-2-one
CID 11362239

Frequently Asked Questions

What is the IUPAC name of 3-(3-aminophenyl)-1-[[4-(dimethylamino)phenyl]methyl]imidazo[4,5-b]pyridin-2-one?
The IUPAC name of 3-(3-aminophenyl)-1-[[4-(dimethylamino)phenyl]methyl]imidazo[4,5-b]pyridin-2-one (CID 139932415) is 3-(3-aminophenyl)-1-[[4-(dimethylamino)phenyl]methyl]imidazo[4,5-b]pyridin-2-one.
What is the SMILES notation for 3-(3-aminophenyl)-1-[[4-(dimethylamino)phenyl]methyl]imidazo[4,5-b]pyridin-2-one?
The canonical SMILES for 3-(3-aminophenyl)-1-[[4-(dimethylamino)phenyl]methyl]imidazo[4,5-b]pyridin-2-one is CN(C)c1ccc(Cn2c(=O)n(-c3cccc(N)c3)c3ncccc32)cc1.
What is the InChIKey of 3-(3-aminophenyl)-1-[[4-(dimethylamino)phenyl]methyl]imidazo[4,5-b]pyridin-2-one?
The InChIKey is PUSQWUJZRXCGOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5O/c1-24(2)17-10-8-15(9-11-17)14-25-19-7-4-12-23-20(19)26(21(25)27)18-6-3-5-16(22)13-18/h3-13H,14,22H2,1-2H3.
What are the key properties of 3-(3-aminophenyl)-1-[[4-(dimethylamino)phenyl]methyl]imidazo[4,5-b]pyridin-2-one?
3-(3-aminophenyl)-1-[[4-(dimethylamino)phenyl]methyl]imidazo[4,5-b]pyridin-2-one has a molecular weight of 359.43 g/mol, XLogP of 2.88, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-aminophenyl)-1-[[4-(dimethylamino)phenyl]methyl]imidazo[4,5-b]pyridin-2-one is sourced from PubChem (CID 139932415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).