N-pentyl-4-propan-2-yloxy-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide

C25H34N4O2 — CID 18733183

IUPACN-pentyl-4-propan-2-yloxy-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide
SMILESCCCCCN(Cc1nc2cccnc2n1CCC)C(=O)c1ccc(OC(C)C)cc1
InChIInChI=1S/C25H34N4O2/c1-5-7-8-17-28(25(30)20-11-13-21(14-12-20)31-19(3)4)18-23-27-22-10-9-15-26-24(22)29(23)16-6-2/h9-15,19H,5-8,16-18H2,1-4H3
InChIKeyBRORBQNARWPITJ-UHFFFAOYSA-N
MW422.57 g/mol
LogP5.46
Rot. Bonds11

About N-pentyl-4-propan-2-yloxy-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide

N-pentyl-4-propan-2-yloxy-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide (PubChem CID 18733183) has the molecular formula C25H34N4O2 and a molecular weight of 422.57 g/mol. Its IUPAC name is N-pentyl-4-propan-2-yloxy-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide.

Molecular Properties

Compound NameN-pentyl-4-propan-2-yloxy-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide
PubChem CID18733183
Molecular FormulaC25H34N4O2
Molecular Weight422.57 g/mol
Exact Mass422.27
IUPAC NameN-pentyl-4-propan-2-yloxy-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide
SMILESCCCCCN(Cc1nc2cccnc2n1CCC)C(=O)c1ccc(OC(C)C)cc1
InChIInChI=1S/C25H34N4O2/c1-5-7-8-17-28(25(30)20-11-13-21(14-12-20)31-19(3)4)18-23-27-22-10-9-15-26-24(22)29(23)16-6-2/h9-15,19H,5-8,16-18H2,1-4H3
InChIKeyBRORBQNARWPITJ-UHFFFAOYSA-N
XLogP5.46
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.57
LogP ≤ 55.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-methoxy-N-(3-methylbutyl)-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide
CID 18734650
4-fluoro-N-propyl-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide
CID 18733180
3-bromo-4-fluoro-N-(3-methylbutyl)-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide
CID 18732767
3-bromo-4-methyl-N-(2-methylpropyl)-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide
CID 18732890
N-[[3-(cyclopropylmethyl)imidazo[4,5-b]pyridin-2-yl]methyl]-4-hexyl-N-propylbenzamide
CID 18734179
3-fluoro-2-methyl-N-(3-methylbutyl)-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide
CID 18733085
3-[2-[(4-methoxyphenyl)methylamino]ethoxy]-N-(2-methylpropyl)-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide
CID 18734609
N-butyl-N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide
CID 18734574
5-methyl-N-[[3-(2-methylpropyl)imidazo[4,5-b]pyridin-2-yl]methyl]-N-propylthiophene-2-carboxamide
CID 18734202
N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-3-methyl-N-pentylbenzamide
CID 18734097
2-ethyl-3-propylimidazo[4,5-b]pyridine
CID 20777190
3-bromo-N-(3-methylbutyl)-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;3-bromo-N-methyl-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;N-butyl-N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-4-iodobenzamide;N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-4-hexyl-N-(2-methylpropyl)benzamide
CID 157230866

Frequently Asked Questions

What is the IUPAC name of N-pentyl-4-propan-2-yloxy-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide?
The IUPAC name of N-pentyl-4-propan-2-yloxy-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide (CID 18733183) is N-pentyl-4-propan-2-yloxy-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide.
What is the SMILES notation for N-pentyl-4-propan-2-yloxy-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide?
The canonical SMILES for N-pentyl-4-propan-2-yloxy-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide is CCCCCN(Cc1nc2cccnc2n1CCC)C(=O)c1ccc(OC(C)C)cc1.
What is the InChIKey of N-pentyl-4-propan-2-yloxy-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide?
The InChIKey is BRORBQNARWPITJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N4O2/c1-5-7-8-17-28(25(30)20-11-13-21(14-12-20)31-19(3)4)18-23-27-22-10-9-15-26-24(22)29(23)16-6-2/h9-15,19H,5-8,16-18H2,1-4H3.
What are the key properties of N-pentyl-4-propan-2-yloxy-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide?
N-pentyl-4-propan-2-yloxy-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide has a molecular weight of 422.57 g/mol, XLogP of 5.46, 11 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-pentyl-4-propan-2-yloxy-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide is sourced from PubChem (CID 18733183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).