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

C21H20N6O — CID 176503465

IUPAC3-(pyridin-2-ylmethyl)-N-(3-pyridin-2-ylpropyl)imidazo[4,5-b]pyridine-6-carboxamide
SMILESO=C(NCCCc1ccccn1)c1cnc2c(c1)ncn2Cc1ccccn1
InChIInChI=1S/C21H20N6O/c28-21(24-11-5-8-17-6-1-3-9-22-17)16-12-19-20(25-13-16)27(15-26-19)14-18-7-2-4-10-23-18/h1-4,6-7,9-10,12-13,15H,5,8,11,14H2,(H,24,28)
InChIKeyFHXBLHWUIZVDLX-UHFFFAOYSA-N
MW372.43 g/mol
LogP2.63
Rot. Bonds7

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

3-(pyridin-2-ylmethyl)-N-(3-pyridin-2-ylpropyl)imidazo[4,5-b]pyridine-6-carboxamide (PubChem CID 176503465) has the molecular formula C21H20N6O and a molecular weight of 372.43 g/mol. Its IUPAC name is 3-(pyridin-2-ylmethyl)-N-(3-pyridin-2-ylpropyl)imidazo[4,5-b]pyridine-6-carboxamide.

Molecular Properties

Compound Name3-(pyridin-2-ylmethyl)-N-(3-pyridin-2-ylpropyl)imidazo[4,5-b]pyridine-6-carboxamide
PubChem CID176503465
Molecular FormulaC21H20N6O
Molecular Weight372.43 g/mol
Exact Mass372.17
IUPAC Name3-(pyridin-2-ylmethyl)-N-(3-pyridin-2-ylpropyl)imidazo[4,5-b]pyridine-6-carboxamide
SMILESO=C(NCCCc1ccccn1)c1cnc2c(c1)ncn2Cc1ccccn1
InChIInChI=1S/C21H20N6O/c28-21(24-11-5-8-17-6-1-3-9-22-17)16-12-19-20(25-13-16)27(15-26-19)14-18-7-2-4-10-23-18/h1-4,6-7,9-10,12-13,15H,5,8,11,14H2,(H,24,28)
InChIKeyFHXBLHWUIZVDLX-UHFFFAOYSA-N
XLogP2.63
TPSA85.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.43
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-[2-(hydroxymethyl)piperidin-1-yl]ethyl]-3-(pyridin-2-ylmethyl)imidazo[4,5-b]pyridine-6-carboxamide
CID 176505417
N-[1-(hydroxymethyl)cyclopent-3-en-1-yl]-3-(pyridin-2-ylmethyl)imidazo[4,5-b]pyridine-6-carboxamide
CID 176504391
N-[1-(dimethylamino)propan-2-yl]-3-(pyridin-2-ylmethyl)imidazo[4,5-b]pyridine-6-carboxamide
CID 176503359
N-[3-(furan-2-yl)propyl]-3-(pyridin-3-ylmethyl)imidazo[4,5-b]pyridine-6-carboxamide
CID 176504746
3,4-dichloro-N-(3-pyridin-2-ylpropyl)benzamide
CID 110660973
N-(3-pyridin-2-ylpropyl)pyridine-2-carboxamide
CID 110660927
N-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-3-(pyridin-2-ylmethyl)imidazo[4,5-b]pyridine-6-carboxamide
CID 176502332
4-bromo-3-hydroxy-N-(3-pyridin-2-ylpropyl)benzamide
CID 86781630
(3-methoxypyrrolidin-1-yl)-[3-(pyridin-2-ylmethyl)imidazo[4,5-b]pyridin-6-yl]methanone
CID 176505470
3-benzyl-N-propyl-N-(pyridin-2-ylmethyl)imidazo[4,5-b]pyridine-6-carboxamide
CID 176503111
5-chloro-6-oxo-N-(3-pyridin-2-ylpropyl)-1H-pyridine-3-carboxamide
CID 77088849
3-benzyl-N-(3-hydroxycyclobutyl)imidazo[4,5-b]pyridine-6-carboxamide
CID 176506320

Frequently Asked Questions

What is the IUPAC name of 3-(pyridin-2-ylmethyl)-N-(3-pyridin-2-ylpropyl)imidazo[4,5-b]pyridine-6-carboxamide?
The IUPAC name of 3-(pyridin-2-ylmethyl)-N-(3-pyridin-2-ylpropyl)imidazo[4,5-b]pyridine-6-carboxamide (CID 176503465) is 3-(pyridin-2-ylmethyl)-N-(3-pyridin-2-ylpropyl)imidazo[4,5-b]pyridine-6-carboxamide.
What is the SMILES notation for 3-(pyridin-2-ylmethyl)-N-(3-pyridin-2-ylpropyl)imidazo[4,5-b]pyridine-6-carboxamide?
The canonical SMILES for 3-(pyridin-2-ylmethyl)-N-(3-pyridin-2-ylpropyl)imidazo[4,5-b]pyridine-6-carboxamide is O=C(NCCCc1ccccn1)c1cnc2c(c1)ncn2Cc1ccccn1.
What is the InChIKey of 3-(pyridin-2-ylmethyl)-N-(3-pyridin-2-ylpropyl)imidazo[4,5-b]pyridine-6-carboxamide?
The InChIKey is FHXBLHWUIZVDLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N6O/c28-21(24-11-5-8-17-6-1-3-9-22-17)16-12-19-20(25-13-16)27(15-26-19)14-18-7-2-4-10-23-18/h1-4,6-7,9-10,12-13,15H,5,8,11,14H2,(H,24,28).
What are the key properties of 3-(pyridin-2-ylmethyl)-N-(3-pyridin-2-ylpropyl)imidazo[4,5-b]pyridine-6-carboxamide?
3-(pyridin-2-ylmethyl)-N-(3-pyridin-2-ylpropyl)imidazo[4,5-b]pyridine-6-carboxamide has a molecular weight of 372.43 g/mol, XLogP of 2.63, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(pyridin-2-ylmethyl)-N-(3-pyridin-2-ylpropyl)imidazo[4,5-b]pyridine-6-carboxamide is sourced from PubChem (CID 176503465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).