3-(4-methoxyphenyl)-N-(pyridin-2-ylmethyl)imidazo[4,5-b]pyridine-6-carboxamide

C20H17N5O2 — CID 11710196

IUPAC3-(4-methoxyphenyl)-N-(pyridin-2-ylmethyl)imidazo[4,5-b]pyridine-6-carboxamide
SMILESCOc1ccc(-n2cnc3cc(C(=O)NCc4ccccn4)cnc32)cc1
InChIInChI=1S/C20H17N5O2/c1-27-17-7-5-16(6-8-17)25-13-24-18-10-14(11-22-19(18)25)20(26)23-12-15-4-2-3-9-21-15/h2-11,13H,12H2,1H3,(H,23,26)
InChIKeyVTKUDYALHIBPFQ-UHFFFAOYSA-N
MW359.39 g/mol
LogP2.75
Rot. Bonds5

About 3-(4-methoxyphenyl)-N-(pyridin-2-ylmethyl)imidazo[4,5-b]pyridine-6-carboxamide

3-(4-methoxyphenyl)-N-(pyridin-2-ylmethyl)imidazo[4,5-b]pyridine-6-carboxamide (PubChem CID 11710196) has the molecular formula C20H17N5O2 and a molecular weight of 359.39 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-N-(pyridin-2-ylmethyl)imidazo[4,5-b]pyridine-6-carboxamide.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-N-(pyridin-2-ylmethyl)imidazo[4,5-b]pyridine-6-carboxamide
PubChem CID11710196
Molecular FormulaC20H17N5O2
Molecular Weight359.39 g/mol
Exact Mass359.14
IUPAC Name3-(4-methoxyphenyl)-N-(pyridin-2-ylmethyl)imidazo[4,5-b]pyridine-6-carboxamide
SMILESCOc1ccc(-n2cnc3cc(C(=O)NCc4ccccn4)cnc32)cc1
InChIInChI=1S/C20H17N5O2/c1-27-17-7-5-16(6-8-17)25-13-24-18-10-14(11-22-19(18)25)20(26)23-12-15-4-2-3-9-21-15/h2-11,13H,12H2,1H3,(H,23,26)
InChIKeyVTKUDYALHIBPFQ-UHFFFAOYSA-N
XLogP2.75
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.39
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-N-(pyridin-2-ylmethyl)imidazo[4,5-b]pyridine-6-carboxamide?
The IUPAC name of 3-(4-methoxyphenyl)-N-(pyridin-2-ylmethyl)imidazo[4,5-b]pyridine-6-carboxamide (CID 11710196) is 3-(4-methoxyphenyl)-N-(pyridin-2-ylmethyl)imidazo[4,5-b]pyridine-6-carboxamide.
What is the SMILES notation for 3-(4-methoxyphenyl)-N-(pyridin-2-ylmethyl)imidazo[4,5-b]pyridine-6-carboxamide?
The canonical SMILES for 3-(4-methoxyphenyl)-N-(pyridin-2-ylmethyl)imidazo[4,5-b]pyridine-6-carboxamide is COc1ccc(-n2cnc3cc(C(=O)NCc4ccccn4)cnc32)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-N-(pyridin-2-ylmethyl)imidazo[4,5-b]pyridine-6-carboxamide?
The InChIKey is VTKUDYALHIBPFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N5O2/c1-27-17-7-5-16(6-8-17)25-13-24-18-10-14(11-22-19(18)25)20(26)23-12-15-4-2-3-9-21-15/h2-11,13H,12H2,1H3,(H,23,26).
What are the key properties of 3-(4-methoxyphenyl)-N-(pyridin-2-ylmethyl)imidazo[4,5-b]pyridine-6-carboxamide?
3-(4-methoxyphenyl)-N-(pyridin-2-ylmethyl)imidazo[4,5-b]pyridine-6-carboxamide has a molecular weight of 359.39 g/mol, XLogP of 2.75, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-N-(pyridin-2-ylmethyl)imidazo[4,5-b]pyridine-6-carboxamide is sourced from PubChem (CID 11710196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).