3-benzyl-4-imidazo[4,5-b]pyridin-3-ylpyridine-2-carboxamide

C19H15N5O — CID 67311556

IUPAC3-benzyl-4-imidazo[4,5-b]pyridin-3-ylpyridine-2-carboxamide
SMILESNC(=O)c1nccc(-n2cnc3cccnc32)c1Cc1ccccc1
InChIInChI=1S/C19H15N5O/c20-18(25)17-14(11-13-5-2-1-3-6-13)16(8-10-21-17)24-12-23-15-7-4-9-22-19(15)24/h1-10,12H,11H2,(H2,20,25)
InChIKeyDPFRYFPQQBWISM-UHFFFAOYSA-N
MW329.36 g/mol
LogP2.51
Rot. Bonds4

About 3-benzyl-4-imidazo[4,5-b]pyridin-3-ylpyridine-2-carboxamide

3-benzyl-4-imidazo[4,5-b]pyridin-3-ylpyridine-2-carboxamide (PubChem CID 67311556) has the molecular formula C19H15N5O and a molecular weight of 329.36 g/mol. Its IUPAC name is 3-benzyl-4-imidazo[4,5-b]pyridin-3-ylpyridine-2-carboxamide.

Molecular Properties

Compound Name3-benzyl-4-imidazo[4,5-b]pyridin-3-ylpyridine-2-carboxamide
PubChem CID67311556
Molecular FormulaC19H15N5O
Molecular Weight329.36 g/mol
Exact Mass329.13
IUPAC Name3-benzyl-4-imidazo[4,5-b]pyridin-3-ylpyridine-2-carboxamide
SMILESNC(=O)c1nccc(-n2cnc3cccnc32)c1Cc1ccccc1
InChIInChI=1S/C19H15N5O/c20-18(25)17-14(11-13-5-2-1-3-6-13)16(8-10-21-17)24-12-23-15-7-4-9-22-19(15)24/h1-10,12H,11H2,(H2,20,25)
InChIKeyDPFRYFPQQBWISM-UHFFFAOYSA-N
XLogP2.51
TPSA86.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.36
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-benzyl-4-imidazo[4,5-b]pyridin-3-ylpyridine-2-carboxamide?
The IUPAC name of 3-benzyl-4-imidazo[4,5-b]pyridin-3-ylpyridine-2-carboxamide (CID 67311556) is 3-benzyl-4-imidazo[4,5-b]pyridin-3-ylpyridine-2-carboxamide.
What is the SMILES notation for 3-benzyl-4-imidazo[4,5-b]pyridin-3-ylpyridine-2-carboxamide?
The canonical SMILES for 3-benzyl-4-imidazo[4,5-b]pyridin-3-ylpyridine-2-carboxamide is NC(=O)c1nccc(-n2cnc3cccnc32)c1Cc1ccccc1.
What is the InChIKey of 3-benzyl-4-imidazo[4,5-b]pyridin-3-ylpyridine-2-carboxamide?
The InChIKey is DPFRYFPQQBWISM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N5O/c20-18(25)17-14(11-13-5-2-1-3-6-13)16(8-10-21-17)24-12-23-15-7-4-9-22-19(15)24/h1-10,12H,11H2,(H2,20,25).
What are the key properties of 3-benzyl-4-imidazo[4,5-b]pyridin-3-ylpyridine-2-carboxamide?
3-benzyl-4-imidazo[4,5-b]pyridin-3-ylpyridine-2-carboxamide has a molecular weight of 329.36 g/mol, XLogP of 2.51, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-4-imidazo[4,5-b]pyridin-3-ylpyridine-2-carboxamide is sourced from PubChem (CID 67311556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).