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

C22H24N6O3 — CID 50899648

IUPAC2-[(3-cyanobenzoyl)amino]-N-ethyl-3-(3-methoxypropyl)-N-methylimidazo[4,5-b]pyridine-5-carboxamide
SMILESCCN(C)C(=O)c1ccc2nc(NC(=O)c3cccc(C#N)c3)n(CCCOC)c2n1
InChIInChI=1S/C22H24N6O3/c1-4-27(2)21(30)18-10-9-17-19(24-18)28(11-6-12-31-3)22(25-17)26-20(29)16-8-5-7-15(13-16)14-23/h5,7-10,13H,4,6,11-12H2,1-3H3,(H,25,26,29)
InChIKeyCYSZSBBHEJDWPK-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-5-carboxamide

2-[(3-cyanobenzoyl)amino]-N-ethyl-3-(3-methoxypropyl)-N-methylimidazo[4,5-b]pyridine-5-carboxamide (PubChem CID 50899648) 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-5-carboxamide.

Molecular Properties

Compound Name2-[(3-cyanobenzoyl)amino]-N-ethyl-3-(3-methoxypropyl)-N-methylimidazo[4,5-b]pyridine-5-carboxamide
PubChem CID50899648
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-5-carboxamide
SMILESCCN(C)C(=O)c1ccc2nc(NC(=O)c3cccc(C#N)c3)n(CCCOC)c2n1
InChIInChI=1S/C22H24N6O3/c1-4-27(2)21(30)18-10-9-17-19(24-18)28(11-6-12-31-3)22(25-17)26-20(29)16-8-5-7-15(13-16)14-23/h5,7-10,13H,4,6,11-12H2,1-3H3,(H,25,26,29)
InChIKeyCYSZSBBHEJDWPK-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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Related Compounds

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CID 37750349
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CID 91827514
N-(1-butyl-3-cyanopyrrolo[3,2-b]quinoxalin-2-yl)benzamide
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CID 10048602
N-butyl-2-(3-cyanobenzamido)-3-(3-methoxypropyl)-3H-imidazo[4,5-b]pyridine-6-carboxamide
CID 16062294
2-(3-cyanobenzamido)-N,N-diethyl-1-(3-methoxypropyl)-1H-benzo[d]imidazole-6-carboxamide
CID 17757368
3-cyano-N-(1-(3-methoxypropyl)-6-(piperidine-1-carbonyl)-1H-benzo[d]imidazol-2-yl)benzamide
CID 24781767
3-cyano-N-(1-(3-methoxypropyl)-5-(piperidine-1-carbonyl)-1H-benzo[d]imidazol-2-yl)benzamide
CID 24781917
N-butyl-2-(3-cyanobenzamido)-1-(3-methoxypropyl)-1H-benzo[d]imidazole-5-carboxamide
CID 24781918
4-cyano-N-(1-(3-methoxypropyl)-5-((methylamino)methyl)-1H-benzo[d]imidazol-2-yl)benzamide
CID 44589639
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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-5-carboxamide?
The IUPAC name of 2-[(3-cyanobenzoyl)amino]-N-ethyl-3-(3-methoxypropyl)-N-methylimidazo[4,5-b]pyridine-5-carboxamide (CID 50899648) is 2-[(3-cyanobenzoyl)amino]-N-ethyl-3-(3-methoxypropyl)-N-methylimidazo[4,5-b]pyridine-5-carboxamide.
What is the SMILES notation for 2-[(3-cyanobenzoyl)amino]-N-ethyl-3-(3-methoxypropyl)-N-methylimidazo[4,5-b]pyridine-5-carboxamide?
The canonical SMILES for 2-[(3-cyanobenzoyl)amino]-N-ethyl-3-(3-methoxypropyl)-N-methylimidazo[4,5-b]pyridine-5-carboxamide is CCN(C)C(=O)c1ccc2nc(NC(=O)c3cccc(C#N)c3)n(CCCOC)c2n1.
What is the InChIKey of 2-[(3-cyanobenzoyl)amino]-N-ethyl-3-(3-methoxypropyl)-N-methylimidazo[4,5-b]pyridine-5-carboxamide?
The InChIKey is CYSZSBBHEJDWPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N6O3/c1-4-27(2)21(30)18-10-9-17-19(24-18)28(11-6-12-31-3)22(25-17)26-20(29)16-8-5-7-15(13-16)14-23/h5,7-10,13H,4,6,11-12H2,1-3H3,(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-5-carboxamide?
2-[(3-cyanobenzoyl)amino]-N-ethyl-3-(3-methoxypropyl)-N-methylimidazo[4,5-b]pyridine-5-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-5-carboxamide is sourced from PubChem (CID 50899648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).