2-[(3-aminobenzoyl)amino]-N-ethyl-3-(3-methoxypropyl)-N-propan-2-ylimidazo[4,5-b]pyridine-6-carboxamide

C23H30N6O3 — CID 70317721

IUPAC2-[(3-aminobenzoyl)amino]-N-ethyl-3-(3-methoxypropyl)-N-propan-2-ylimidazo[4,5-b]pyridine-6-carboxamide
SMILESCCN(C(=O)c1cnc2c(c1)nc(NC(=O)c1cccc(N)c1)n2CCCOC)C(C)C
InChIInChI=1S/C23H30N6O3/c1-5-28(15(2)3)22(31)17-13-19-20(25-14-17)29(10-7-11-32-4)23(26-19)27-21(30)16-8-6-9-18(24)12-16/h6,8-9,12-15H,5,7,10-11,24H2,1-4H3,(H,26,27,30)
InChIKeyHXRDOMFCYWCXRF-UHFFFAOYSA-N
MW438.53 g/mol
LogP3.17
Rot. Bonds9

About 2-[(3-aminobenzoyl)amino]-N-ethyl-3-(3-methoxypropyl)-N-propan-2-ylimidazo[4,5-b]pyridine-6-carboxamide

2-[(3-aminobenzoyl)amino]-N-ethyl-3-(3-methoxypropyl)-N-propan-2-ylimidazo[4,5-b]pyridine-6-carboxamide (PubChem CID 70317721) has the molecular formula C23H30N6O3 and a molecular weight of 438.53 g/mol. Its IUPAC name is 2-[(3-aminobenzoyl)amino]-N-ethyl-3-(3-methoxypropyl)-N-propan-2-ylimidazo[4,5-b]pyridine-6-carboxamide.

Molecular Properties

Compound Name2-[(3-aminobenzoyl)amino]-N-ethyl-3-(3-methoxypropyl)-N-propan-2-ylimidazo[4,5-b]pyridine-6-carboxamide
PubChem CID70317721
Molecular FormulaC23H30N6O3
Molecular Weight438.53 g/mol
Exact Mass438.24
IUPAC Name2-[(3-aminobenzoyl)amino]-N-ethyl-3-(3-methoxypropyl)-N-propan-2-ylimidazo[4,5-b]pyridine-6-carboxamide
SMILESCCN(C(=O)c1cnc2c(c1)nc(NC(=O)c1cccc(N)c1)n2CCCOC)C(C)C
InChIInChI=1S/C23H30N6O3/c1-5-28(15(2)3)22(31)17-13-19-20(25-14-17)29(10-7-11-32-4)23(26-19)27-21(30)16-8-6-9-18(24)12-16/h6,8-9,12-15H,5,7,10-11,24H2,1-4H3,(H,26,27,30)
InChIKeyHXRDOMFCYWCXRF-UHFFFAOYSA-N
XLogP3.17
TPSA115.37 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.53
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 2-[(3-aminobenzoyl)amino]-N-ethyl-3-(3-methoxypropyl)-N-propan-2-ylimidazo[4,5-b]pyridine-6-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-amino-N-[6-(3,5-dimethylpiperidine-1-carbonyl)-3-(3-methoxypropyl)imidazo[4,5-b]pyridin-2-yl]benzamide
CID 70319093
3-amino-N-[6-(4-hydroxypiperidine-1-carbonyl)-3-(3-methoxypropyl)imidazo[4,5-b]pyridin-2-yl]benzamide
CID 70319496
3-amino-N-[3-(3-methoxypropyl)-6-(2-methylpyrrolidine-1-carbonyl)imidazo[4,5-b]pyridin-2-yl]benzamide
CID 70318294
3-amino-N-[6-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-3-(3-methoxypropyl)imidazo[4,5-b]pyridin-2-yl]benzamide
CID 70318588
3-amino-N-[6-(3-hydroxypiperidine-1-carbonyl)-3-(3-methoxypropyl)imidazo[4,5-b]pyridin-2-yl]benzamide
CID 70318590
3-amino-N-[6-[(3S)-3-methoxypiperidine-1-carbonyl]-3-(3-methoxypropyl)imidazo[4,5-b]pyridin-2-yl]benzamide
CID 70318198
2-[(3-aminobenzoyl)amino]-3-(3-methoxypropyl)benzimidazole-4-carboxamide
CID 70312601
3-amino-N-[5-(azetidine-1-carbonyl)-3-(3-methoxypropyl)imidazo[4,5-b]pyridin-2-yl]benzamide
CID 70317654
2-[(3-cyanobenzoyl)amino]-3-(3-methoxypropyl)-N-methyl-N-(pyridin-3-ylmethyl)imidazo[4,5-b]pyridine-6-carboxamide
CID 59742928
3-ethynyl-N-[3-(3-methoxypropyl)-6-(piperidine-1-carbonyl)imidazo[4,5-b]pyridin-2-yl]benzamide
CID 15950359
3-amino-N-[1-(3-ethoxypropyl)benzimidazol-2-yl]benzamide;hydrochloride
CID 119770789
3-cyano-N-[6-[3-(dimethylamino)pyrrolidine-1-carbonyl]-3-(3-methoxypropyl)imidazo[4,5-b]pyridin-2-yl]benzamide
CID 69105372

Frequently Asked Questions

What is the IUPAC name of 2-[(3-aminobenzoyl)amino]-N-ethyl-3-(3-methoxypropyl)-N-propan-2-ylimidazo[4,5-b]pyridine-6-carboxamide?
The IUPAC name of 2-[(3-aminobenzoyl)amino]-N-ethyl-3-(3-methoxypropyl)-N-propan-2-ylimidazo[4,5-b]pyridine-6-carboxamide (CID 70317721) is 2-[(3-aminobenzoyl)amino]-N-ethyl-3-(3-methoxypropyl)-N-propan-2-ylimidazo[4,5-b]pyridine-6-carboxamide.
What is the SMILES notation for 2-[(3-aminobenzoyl)amino]-N-ethyl-3-(3-methoxypropyl)-N-propan-2-ylimidazo[4,5-b]pyridine-6-carboxamide?
The canonical SMILES for 2-[(3-aminobenzoyl)amino]-N-ethyl-3-(3-methoxypropyl)-N-propan-2-ylimidazo[4,5-b]pyridine-6-carboxamide is CCN(C(=O)c1cnc2c(c1)nc(NC(=O)c1cccc(N)c1)n2CCCOC)C(C)C.
What is the InChIKey of 2-[(3-aminobenzoyl)amino]-N-ethyl-3-(3-methoxypropyl)-N-propan-2-ylimidazo[4,5-b]pyridine-6-carboxamide?
The InChIKey is HXRDOMFCYWCXRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N6O3/c1-5-28(15(2)3)22(31)17-13-19-20(25-14-17)29(10-7-11-32-4)23(26-19)27-21(30)16-8-6-9-18(24)12-16/h6,8-9,12-15H,5,7,10-11,24H2,1-4H3,(H,26,27,30).
What are the key properties of 2-[(3-aminobenzoyl)amino]-N-ethyl-3-(3-methoxypropyl)-N-propan-2-ylimidazo[4,5-b]pyridine-6-carboxamide?
2-[(3-aminobenzoyl)amino]-N-ethyl-3-(3-methoxypropyl)-N-propan-2-ylimidazo[4,5-b]pyridine-6-carboxamide has a molecular weight of 438.53 g/mol, XLogP of 3.17, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-aminobenzoyl)amino]-N-ethyl-3-(3-methoxypropyl)-N-propan-2-ylimidazo[4,5-b]pyridine-6-carboxamide is sourced from PubChem (CID 70317721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).