2-[(3-cyanobenzoyl)amino]-N-ethyl-3-(3-methoxypropyl)-N-methylimidazo[4,5-b]pyridine-6-carboxamide

C22H24N6O3 — CID 52940875

IUPAC2-[(3-cyanobenzoyl)amino]-N-ethyl-3-(3-methoxypropyl)-N-methylimidazo[4,5-b]pyridine-6-carboxamide
SMILESCCN(C)C(=O)c1cnc2c(c1)nc(NC(=O)c1cccc(C#N)c1)n2CCCOC
InChIInChI=1S/C22H24N6O3/c1-4-27(2)21(30)17-12-18-19(24-14-17)28(9-6-10-31-3)22(25-18)26-20(29)16-8-5-7-15(11-16)13-23/h5,7-8,11-12,14H,4,6,9-10H2,1-3H3,(H,25,26,29)
InChIKeyKPMJQKRUJWGDGI-UHFFFAOYSA-N
MW420.47 g/mol
LogP2.68
Rot. Bonds8

About 2-[(3-cyanobenzoyl)amino]-N-ethyl-3-(3-methoxypropyl)-N-methylimidazo[4,5-b]pyridine-6-carboxamide

2-[(3-cyanobenzoyl)amino]-N-ethyl-3-(3-methoxypropyl)-N-methylimidazo[4,5-b]pyridine-6-carboxamide (PubChem CID 52940875) has the molecular formula C22H24N6O3 and a molecular weight of 420.47 g/mol. Its IUPAC name is 2-[(3-cyanobenzoyl)amino]-N-ethyl-3-(3-methoxypropyl)-N-methylimidazo[4,5-b]pyridine-6-carboxamide.

Molecular Properties

Compound Name2-[(3-cyanobenzoyl)amino]-N-ethyl-3-(3-methoxypropyl)-N-methylimidazo[4,5-b]pyridine-6-carboxamide
PubChem CID52940875
Molecular FormulaC22H24N6O3
Molecular Weight420.47 g/mol
Exact Mass420.19
IUPAC Name2-[(3-cyanobenzoyl)amino]-N-ethyl-3-(3-methoxypropyl)-N-methylimidazo[4,5-b]pyridine-6-carboxamide
SMILESCCN(C)C(=O)c1cnc2c(c1)nc(NC(=O)c1cccc(C#N)c1)n2CCCOC
InChIInChI=1S/C22H24N6O3/c1-4-27(2)21(30)17-12-18-19(24-14-17)28(9-6-10-31-3)22(25-18)26-20(29)16-8-5-7-15(11-16)13-23/h5,7-8,11-12,14H,4,6,9-10H2,1-3H3,(H,25,26,29)
InChIKeyKPMJQKRUJWGDGI-UHFFFAOYSA-N
XLogP2.68
TPSA113.14 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.47
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-cyanobenzoyl)amino]-N-ethyl-3-(3-methoxypropyl)-N-methylimidazo[4,5-b]pyridine-6-carboxamide?
The IUPAC name of 2-[(3-cyanobenzoyl)amino]-N-ethyl-3-(3-methoxypropyl)-N-methylimidazo[4,5-b]pyridine-6-carboxamide (CID 52940875) is 2-[(3-cyanobenzoyl)amino]-N-ethyl-3-(3-methoxypropyl)-N-methylimidazo[4,5-b]pyridine-6-carboxamide.
What is the SMILES notation for 2-[(3-cyanobenzoyl)amino]-N-ethyl-3-(3-methoxypropyl)-N-methylimidazo[4,5-b]pyridine-6-carboxamide?
The canonical SMILES for 2-[(3-cyanobenzoyl)amino]-N-ethyl-3-(3-methoxypropyl)-N-methylimidazo[4,5-b]pyridine-6-carboxamide is CCN(C)C(=O)c1cnc2c(c1)nc(NC(=O)c1cccc(C#N)c1)n2CCCOC.
What is the InChIKey of 2-[(3-cyanobenzoyl)amino]-N-ethyl-3-(3-methoxypropyl)-N-methylimidazo[4,5-b]pyridine-6-carboxamide?
The InChIKey is KPMJQKRUJWGDGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N6O3/c1-4-27(2)21(30)17-12-18-19(24-14-17)28(9-6-10-31-3)22(25-18)26-20(29)16-8-5-7-15(11-16)13-23/h5,7-8,11-12,14H,4,6,9-10H2,1-3H3,(H,25,26,29).
What are the key properties of 2-[(3-cyanobenzoyl)amino]-N-ethyl-3-(3-methoxypropyl)-N-methylimidazo[4,5-b]pyridine-6-carboxamide?
2-[(3-cyanobenzoyl)amino]-N-ethyl-3-(3-methoxypropyl)-N-methylimidazo[4,5-b]pyridine-6-carboxamide has a molecular weight of 420.47 g/mol, XLogP of 2.68, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-cyanobenzoyl)amino]-N-ethyl-3-(3-methoxypropyl)-N-methylimidazo[4,5-b]pyridine-6-carboxamide is sourced from PubChem (CID 52940875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).