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

C23H26N6O3 — CID 52943351

IUPAC2-[(3-cyanobenzoyl)amino]-3-(3-methoxypropyl)-N-methyl-N-propan-2-ylimidazo[4,5-b]pyridine-6-carboxamide
SMILESCOCCCn1c(NC(=O)c2cccc(C#N)c2)nc2cc(C(=O)N(C)C(C)C)cnc21
InChIInChI=1S/C23H26N6O3/c1-15(2)28(3)22(31)18-12-19-20(25-14-18)29(9-6-10-32-4)23(26-19)27-21(30)17-8-5-7-16(11-17)13-24/h5,7-8,11-12,14-15H,6,9-10H2,1-4H3,(H,26,27,30)
InChIKeyYQGFFJMUXUICQH-UHFFFAOYSA-N
MW434.50 g/mol
LogP3.07
Rot. Bonds8

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

2-[(3-cyanobenzoyl)amino]-3-(3-methoxypropyl)-N-methyl-N-propan-2-ylimidazo[4,5-b]pyridine-6-carboxamide (PubChem CID 52943351) has the molecular formula C23H26N6O3 and a molecular weight of 434.50 g/mol. Its IUPAC name is 2-[(3-cyanobenzoyl)amino]-3-(3-methoxypropyl)-N-methyl-N-propan-2-ylimidazo[4,5-b]pyridine-6-carboxamide.

Molecular Properties

Compound Name2-[(3-cyanobenzoyl)amino]-3-(3-methoxypropyl)-N-methyl-N-propan-2-ylimidazo[4,5-b]pyridine-6-carboxamide
PubChem CID52943351
Molecular FormulaC23H26N6O3
Molecular Weight434.50 g/mol
Exact Mass434.21
IUPAC Name2-[(3-cyanobenzoyl)amino]-3-(3-methoxypropyl)-N-methyl-N-propan-2-ylimidazo[4,5-b]pyridine-6-carboxamide
SMILESCOCCCn1c(NC(=O)c2cccc(C#N)c2)nc2cc(C(=O)N(C)C(C)C)cnc21
InChIInChI=1S/C23H26N6O3/c1-15(2)28(3)22(31)18-12-19-20(25-14-18)29(9-6-10-32-4)23(26-19)27-21(30)17-8-5-7-16(11-17)13-24/h5,7-8,11-12,14-15H,6,9-10H2,1-4H3,(H,26,27,30)
InChIKeyYQGFFJMUXUICQH-UHFFFAOYSA-N
XLogP3.07
TPSA113.14 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.50
LogP ≤ 53.07
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]-3-(3-methoxypropyl)-N-methyl-N-propan-2-ylimidazo[4,5-b]pyridine-6-carboxamide?
The IUPAC name of 2-[(3-cyanobenzoyl)amino]-3-(3-methoxypropyl)-N-methyl-N-propan-2-ylimidazo[4,5-b]pyridine-6-carboxamide (CID 52943351) is 2-[(3-cyanobenzoyl)amino]-3-(3-methoxypropyl)-N-methyl-N-propan-2-ylimidazo[4,5-b]pyridine-6-carboxamide.
What is the SMILES notation for 2-[(3-cyanobenzoyl)amino]-3-(3-methoxypropyl)-N-methyl-N-propan-2-ylimidazo[4,5-b]pyridine-6-carboxamide?
The canonical SMILES for 2-[(3-cyanobenzoyl)amino]-3-(3-methoxypropyl)-N-methyl-N-propan-2-ylimidazo[4,5-b]pyridine-6-carboxamide is COCCCn1c(NC(=O)c2cccc(C#N)c2)nc2cc(C(=O)N(C)C(C)C)cnc21.
What is the InChIKey of 2-[(3-cyanobenzoyl)amino]-3-(3-methoxypropyl)-N-methyl-N-propan-2-ylimidazo[4,5-b]pyridine-6-carboxamide?
The InChIKey is YQGFFJMUXUICQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N6O3/c1-15(2)28(3)22(31)18-12-19-20(25-14-18)29(9-6-10-32-4)23(26-19)27-21(30)17-8-5-7-16(11-17)13-24/h5,7-8,11-12,14-15H,6,9-10H2,1-4H3,(H,26,27,30).
What are the key properties of 2-[(3-cyanobenzoyl)amino]-3-(3-methoxypropyl)-N-methyl-N-propan-2-ylimidazo[4,5-b]pyridine-6-carboxamide?
2-[(3-cyanobenzoyl)amino]-3-(3-methoxypropyl)-N-methyl-N-propan-2-ylimidazo[4,5-b]pyridine-6-carboxamide has a molecular weight of 434.50 g/mol, XLogP of 3.07, 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]-3-(3-methoxypropyl)-N-methyl-N-propan-2-ylimidazo[4,5-b]pyridine-6-carboxamide is sourced from PubChem (CID 52943351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).