N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-3-methyl-N-pentylbenzamide

C25H32N4O — CID 18734097

IUPACN-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-3-methyl-N-pentylbenzamide
SMILESCCCCCN(Cc1nc2cccnc2n1C1CCCC1)C(=O)c1cccc(C)c1
InChIInChI=1S/C25H32N4O/c1-3-4-7-16-28(25(30)20-11-8-10-19(2)17-20)18-23-27-22-14-9-15-26-24(22)29(23)21-12-5-6-13-21/h8-11,14-15,17,21H,3-7,12-13,16,18H2,1-2H3
InChIKeyGJTVDLGCRIJVBR-UHFFFAOYSA-N
MW404.56 g/mol
LogP5.69
Rot. Bonds8

About N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-3-methyl-N-pentylbenzamide

N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-3-methyl-N-pentylbenzamide (PubChem CID 18734097) has the molecular formula C25H32N4O and a molecular weight of 404.56 g/mol. Its IUPAC name is N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-3-methyl-N-pentylbenzamide.

Molecular Properties

Compound NameN-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-3-methyl-N-pentylbenzamide
PubChem CID18734097
Molecular FormulaC25H32N4O
Molecular Weight404.56 g/mol
Exact Mass404.26
IUPAC NameN-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-3-methyl-N-pentylbenzamide
SMILESCCCCCN(Cc1nc2cccnc2n1C1CCCC1)C(=O)c1cccc(C)c1
InChIInChI=1S/C25H32N4O/c1-3-4-7-16-28(25(30)20-11-8-10-19(2)17-20)18-23-27-22-14-9-15-26-24(22)29(23)21-12-5-6-13-21/h8-11,14-15,17,21H,3-7,12-13,16,18H2,1-2H3
InChIKeyGJTVDLGCRIJVBR-UHFFFAOYSA-N
XLogP5.69
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.56
LogP ≤ 55.69
H-Bond Donors ≤ 50
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 N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-3-methyl-N-pentylbenzamide?
The IUPAC name of N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-3-methyl-N-pentylbenzamide (CID 18734097) is N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-3-methyl-N-pentylbenzamide.
What is the SMILES notation for N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-3-methyl-N-pentylbenzamide?
The canonical SMILES for N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-3-methyl-N-pentylbenzamide is CCCCCN(Cc1nc2cccnc2n1C1CCCC1)C(=O)c1cccc(C)c1.
What is the InChIKey of N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-3-methyl-N-pentylbenzamide?
The InChIKey is GJTVDLGCRIJVBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N4O/c1-3-4-7-16-28(25(30)20-11-8-10-19(2)17-20)18-23-27-22-14-9-15-26-24(22)29(23)21-12-5-6-13-21/h8-11,14-15,17,21H,3-7,12-13,16,18H2,1-2H3.
What are the key properties of N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-3-methyl-N-pentylbenzamide?
N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-3-methyl-N-pentylbenzamide has a molecular weight of 404.56 g/mol, XLogP of 5.69, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-3-methyl-N-pentylbenzamide is sourced from PubChem (CID 18734097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).