3-(3-benzylimidazo[4,5-b]pyridin-2-yl)-N-butylpropanamide

C20H24N4O — CID 20867282

IUPAC3-(3-benzylimidazo[4,5-b]pyridin-2-yl)-N-butylpropanamide
SMILESCCCCNC(=O)CCc1nc2cccnc2n1Cc1ccccc1
InChIInChI=1S/C20H24N4O/c1-2-3-13-21-19(25)12-11-18-23-17-10-7-14-22-20(17)24(18)15-16-8-5-4-6-9-16/h4-10,14H,2-3,11-13,15H2,1H3,(H,21,25)
InChIKeyBGELRWNDCNKDAV-UHFFFAOYSA-N
MW336.44 g/mol
LogP3.33
Rot. Bonds8

About 3-(3-benzylimidazo[4,5-b]pyridin-2-yl)-N-butylpropanamide

3-(3-benzylimidazo[4,5-b]pyridin-2-yl)-N-butylpropanamide (PubChem CID 20867282) has the molecular formula C20H24N4O and a molecular weight of 336.44 g/mol. Its IUPAC name is 3-(3-benzylimidazo[4,5-b]pyridin-2-yl)-N-butylpropanamide.

Molecular Properties

Compound Name3-(3-benzylimidazo[4,5-b]pyridin-2-yl)-N-butylpropanamide
PubChem CID20867282
Molecular FormulaC20H24N4O
Molecular Weight336.44 g/mol
Exact Mass336.20
IUPAC Name3-(3-benzylimidazo[4,5-b]pyridin-2-yl)-N-butylpropanamide
SMILESCCCCNC(=O)CCc1nc2cccnc2n1Cc1ccccc1
InChIInChI=1S/C20H24N4O/c1-2-3-13-21-19(25)12-11-18-23-17-10-7-14-22-20(17)24(18)15-16-8-5-4-6-9-16/h4-10,14H,2-3,11-13,15H2,1H3,(H,21,25)
InChIKeyBGELRWNDCNKDAV-UHFFFAOYSA-N
XLogP3.33
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 3-(3-benzylimidazo[4,5-b]pyridin-2-yl)-N-butylpropanamide?
The IUPAC name of 3-(3-benzylimidazo[4,5-b]pyridin-2-yl)-N-butylpropanamide (CID 20867282) is 3-(3-benzylimidazo[4,5-b]pyridin-2-yl)-N-butylpropanamide.
What is the SMILES notation for 3-(3-benzylimidazo[4,5-b]pyridin-2-yl)-N-butylpropanamide?
The canonical SMILES for 3-(3-benzylimidazo[4,5-b]pyridin-2-yl)-N-butylpropanamide is CCCCNC(=O)CCc1nc2cccnc2n1Cc1ccccc1.
What is the InChIKey of 3-(3-benzylimidazo[4,5-b]pyridin-2-yl)-N-butylpropanamide?
The InChIKey is BGELRWNDCNKDAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O/c1-2-3-13-21-19(25)12-11-18-23-17-10-7-14-22-20(17)24(18)15-16-8-5-4-6-9-16/h4-10,14H,2-3,11-13,15H2,1H3,(H,21,25).
What are the key properties of 3-(3-benzylimidazo[4,5-b]pyridin-2-yl)-N-butylpropanamide?
3-(3-benzylimidazo[4,5-b]pyridin-2-yl)-N-butylpropanamide has a molecular weight of 336.44 g/mol, XLogP of 3.33, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-benzylimidazo[4,5-b]pyridin-2-yl)-N-butylpropanamide is sourced from PubChem (CID 20867282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).