N,2-dimethyl-N-[4-[[3-(3-nitrophenyl)-2-oxoimidazo[4,5-b]pyridin-1-yl]methyl]phenyl]propanamide

C24H23N5O4 — CID 139932436

IUPACN,2-dimethyl-N-[4-[[3-(3-nitrophenyl)-2-oxoimidazo[4,5-b]pyridin-1-yl]methyl]phenyl]propanamide
SMILESCC(C)C(=O)N(C)c1ccc(Cn2c(=O)n(-c3cccc([N+](=O)[O-])c3)c3ncccc32)cc1
InChIInChI=1S/C24H23N5O4/c1-16(2)23(30)26(3)18-11-9-17(10-12-18)15-27-21-8-5-13-25-22(21)28(24(27)31)19-6-4-7-20(14-19)29(32)33/h4-14,16H,15H2,1-3H3
InChIKeyNCVYAYAPDQVUIW-UHFFFAOYSA-N
MW445.48 g/mol
LogP3.76
Rot. Bonds6

About N,2-dimethyl-N-[4-[[3-(3-nitrophenyl)-2-oxoimidazo[4,5-b]pyridin-1-yl]methyl]phenyl]propanamide

N,2-dimethyl-N-[4-[[3-(3-nitrophenyl)-2-oxoimidazo[4,5-b]pyridin-1-yl]methyl]phenyl]propanamide (PubChem CID 139932436) has the molecular formula C24H23N5O4 and a molecular weight of 445.48 g/mol. Its IUPAC name is N,2-dimethyl-N-[4-[[3-(3-nitrophenyl)-2-oxoimidazo[4,5-b]pyridin-1-yl]methyl]phenyl]propanamide.

Molecular Properties

Compound NameN,2-dimethyl-N-[4-[[3-(3-nitrophenyl)-2-oxoimidazo[4,5-b]pyridin-1-yl]methyl]phenyl]propanamide
PubChem CID139932436
Molecular FormulaC24H23N5O4
Molecular Weight445.48 g/mol
Exact Mass445.18
IUPAC NameN,2-dimethyl-N-[4-[[3-(3-nitrophenyl)-2-oxoimidazo[4,5-b]pyridin-1-yl]methyl]phenyl]propanamide
SMILESCC(C)C(=O)N(C)c1ccc(Cn2c(=O)n(-c3cccc([N+](=O)[O-])c3)c3ncccc32)cc1
InChIInChI=1S/C24H23N5O4/c1-16(2)23(30)26(3)18-11-9-17(10-12-18)15-27-21-8-5-13-25-22(21)28(24(27)31)19-6-4-7-20(14-19)29(32)33/h4-14,16H,15H2,1-3H3
InChIKeyNCVYAYAPDQVUIW-UHFFFAOYSA-N
XLogP3.76
TPSA103.27 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.48
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-(3-aminophenyl)-1-[[4-(dimethylamino)phenyl]methyl]imidazo[4,5-b]pyridin-2-one
CID 139932415
3-(4-nitrophenyl)-1-(pyridin-4-ylmethyl)imidazo[4,5-b]pyridin-2-one
CID 139932468
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
1-(3-nitrophenyl)-3-propylpyrido[2,3-d]pyrimidine-2,4-dione
CID 12764179
1-[(3-nitrophenyl)methyl]-3-(pyridin-4-ylmethyl)pyrido[3,2-d]pyrimidine-2,4-dione
CID 16952061
2-[7-chloro-3-(3-nitrophenyl)-2,4-dioxoquinazolin-1-yl]-N-propan-2-ylacetamide
CID 71959572
N-benzyl-N-methyl-2-(2-oxo-3-phenylimidazo[4,5-b]pyridin-1-yl)acetamide
CID 53159300
2-[3-[(4-methylphenyl)methyl]-2,4-dioxopyrido[3,2-d]pyrimidin-1-yl]-N-(3-nitrophenyl)acetamide
CID 41240408
1-[(3-nitrophenyl)methyl]-3H-imidazo[4,5-b]pyridin-2-one
CID 83290800
N-[2-(1-benzyl-2-oxoimidazo[4,5-b]pyridin-3-yl)ethyl]-3-(dimethylamino)benzamide
CID 71841244
2-benzyl-4-(3-nitrophenyl)pyrido[2,3-b]pyrazin-3-one
CID 22724113

Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-N-[4-[[3-(3-nitrophenyl)-2-oxoimidazo[4,5-b]pyridin-1-yl]methyl]phenyl]propanamide?
The IUPAC name of N,2-dimethyl-N-[4-[[3-(3-nitrophenyl)-2-oxoimidazo[4,5-b]pyridin-1-yl]methyl]phenyl]propanamide (CID 139932436) is N,2-dimethyl-N-[4-[[3-(3-nitrophenyl)-2-oxoimidazo[4,5-b]pyridin-1-yl]methyl]phenyl]propanamide.
What is the SMILES notation for N,2-dimethyl-N-[4-[[3-(3-nitrophenyl)-2-oxoimidazo[4,5-b]pyridin-1-yl]methyl]phenyl]propanamide?
The canonical SMILES for N,2-dimethyl-N-[4-[[3-(3-nitrophenyl)-2-oxoimidazo[4,5-b]pyridin-1-yl]methyl]phenyl]propanamide is CC(C)C(=O)N(C)c1ccc(Cn2c(=O)n(-c3cccc([N+](=O)[O-])c3)c3ncccc32)cc1.
What is the InChIKey of N,2-dimethyl-N-[4-[[3-(3-nitrophenyl)-2-oxoimidazo[4,5-b]pyridin-1-yl]methyl]phenyl]propanamide?
The InChIKey is NCVYAYAPDQVUIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N5O4/c1-16(2)23(30)26(3)18-11-9-17(10-12-18)15-27-21-8-5-13-25-22(21)28(24(27)31)19-6-4-7-20(14-19)29(32)33/h4-14,16H,15H2,1-3H3.
What are the key properties of N,2-dimethyl-N-[4-[[3-(3-nitrophenyl)-2-oxoimidazo[4,5-b]pyridin-1-yl]methyl]phenyl]propanamide?
N,2-dimethyl-N-[4-[[3-(3-nitrophenyl)-2-oxoimidazo[4,5-b]pyridin-1-yl]methyl]phenyl]propanamide has a molecular weight of 445.48 g/mol, XLogP of 3.76, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-N-[4-[[3-(3-nitrophenyl)-2-oxoimidazo[4,5-b]pyridin-1-yl]methyl]phenyl]propanamide is sourced from PubChem (CID 139932436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).