2-[(3-cyanobenzoyl)amino]-3-(3-methoxypropyl)-N-methyl-N-(pyridin-3-ylmethyl)imidazo[4,5-b]pyridine-6-carboxamide

C26H25N7O3 — CID 59742928

IUPAC2-[(3-cyanobenzoyl)amino]-3-(3-methoxypropyl)-N-methyl-N-(pyridin-3-ylmethyl)imidazo[4,5-b]pyridine-6-carboxamide
SMILESCOCCCn1c(NC(=O)c2cccc(C#N)c2)nc2cc(C(=O)N(C)Cc3cccnc3)cnc21
InChIInChI=1S/C26H25N7O3/c1-32(17-19-7-4-9-28-15-19)25(35)21-13-22-23(29-16-21)33(10-5-11-36-2)26(30-22)31-24(34)20-8-3-6-18(12-20)14-27/h3-4,6-9,12-13,15-16H,5,10-11,17H2,1-2H3,(H,30,31,34)
InChIKeyVIVMTRDBJSRGLR-UHFFFAOYSA-N
MW483.53 g/mol
LogP3.26
Rot. Bonds9

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

2-[(3-cyanobenzoyl)amino]-3-(3-methoxypropyl)-N-methyl-N-(pyridin-3-ylmethyl)imidazo[4,5-b]pyridine-6-carboxamide (PubChem CID 59742928) has the molecular formula C26H25N7O3 and a molecular weight of 483.53 g/mol. Its IUPAC name is 2-[(3-cyanobenzoyl)amino]-3-(3-methoxypropyl)-N-methyl-N-(pyridin-3-ylmethyl)imidazo[4,5-b]pyridine-6-carboxamide.

Molecular Properties

Compound Name2-[(3-cyanobenzoyl)amino]-3-(3-methoxypropyl)-N-methyl-N-(pyridin-3-ylmethyl)imidazo[4,5-b]pyridine-6-carboxamide
PubChem CID59742928
Molecular FormulaC26H25N7O3
Molecular Weight483.53 g/mol
Exact Mass483.20
IUPAC Name2-[(3-cyanobenzoyl)amino]-3-(3-methoxypropyl)-N-methyl-N-(pyridin-3-ylmethyl)imidazo[4,5-b]pyridine-6-carboxamide
SMILESCOCCCn1c(NC(=O)c2cccc(C#N)c2)nc2cc(C(=O)N(C)Cc3cccnc3)cnc21
InChIInChI=1S/C26H25N7O3/c1-32(17-19-7-4-9-28-15-19)25(35)21-13-22-23(29-16-21)33(10-5-11-36-2)26(30-22)31-24(34)20-8-3-6-18(12-20)14-27/h3-4,6-9,12-13,15-16H,5,10-11,17H2,1-2H3,(H,30,31,34)
InChIKeyVIVMTRDBJSRGLR-UHFFFAOYSA-N
XLogP3.26
TPSA126.03 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.53
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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-(pyridin-3-ylmethyl)imidazo[4,5-b]pyridine-6-carboxamide?
The IUPAC name of 2-[(3-cyanobenzoyl)amino]-3-(3-methoxypropyl)-N-methyl-N-(pyridin-3-ylmethyl)imidazo[4,5-b]pyridine-6-carboxamide (CID 59742928) is 2-[(3-cyanobenzoyl)amino]-3-(3-methoxypropyl)-N-methyl-N-(pyridin-3-ylmethyl)imidazo[4,5-b]pyridine-6-carboxamide.
What is the SMILES notation for 2-[(3-cyanobenzoyl)amino]-3-(3-methoxypropyl)-N-methyl-N-(pyridin-3-ylmethyl)imidazo[4,5-b]pyridine-6-carboxamide?
The canonical SMILES for 2-[(3-cyanobenzoyl)amino]-3-(3-methoxypropyl)-N-methyl-N-(pyridin-3-ylmethyl)imidazo[4,5-b]pyridine-6-carboxamide is COCCCn1c(NC(=O)c2cccc(C#N)c2)nc2cc(C(=O)N(C)Cc3cccnc3)cnc21.
What is the InChIKey of 2-[(3-cyanobenzoyl)amino]-3-(3-methoxypropyl)-N-methyl-N-(pyridin-3-ylmethyl)imidazo[4,5-b]pyridine-6-carboxamide?
The InChIKey is VIVMTRDBJSRGLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N7O3/c1-32(17-19-7-4-9-28-15-19)25(35)21-13-22-23(29-16-21)33(10-5-11-36-2)26(30-22)31-24(34)20-8-3-6-18(12-20)14-27/h3-4,6-9,12-13,15-16H,5,10-11,17H2,1-2H3,(H,30,31,34).
What are the key properties of 2-[(3-cyanobenzoyl)amino]-3-(3-methoxypropyl)-N-methyl-N-(pyridin-3-ylmethyl)imidazo[4,5-b]pyridine-6-carboxamide?
2-[(3-cyanobenzoyl)amino]-3-(3-methoxypropyl)-N-methyl-N-(pyridin-3-ylmethyl)imidazo[4,5-b]pyridine-6-carboxamide has a molecular weight of 483.53 g/mol, XLogP of 3.26, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-cyanobenzoyl)amino]-3-(3-methoxypropyl)-N-methyl-N-(pyridin-3-ylmethyl)imidazo[4,5-b]pyridine-6-carboxamide is sourced from PubChem (CID 59742928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).