N-cyclohexyl-N-ethyl-3-[2-(4-propylcyclohexyl)imidazo[4,5-b]pyridin-1-yl]propanamide

C26H40N4O — CID 129276730

IUPACN-cyclohexyl-N-ethyl-3-[2-(4-propylcyclohexyl)imidazo[4,5-b]pyridin-1-yl]propanamide
SMILESCCCC1CCC(c2nc3ncccc3n2CCC(=O)N(CC)C2CCCCC2)CC1
InChIInChI=1S/C26H40N4O/c1-3-9-20-13-15-21(16-14-20)26-28-25-23(12-8-18-27-25)30(26)19-17-24(31)29(4-2)22-10-6-5-7-11-22/h8,12,18,20-22H,3-7,9-11,13-17,19H2,1-2H3
InChIKeyLNEBQMRCEASTHD-UHFFFAOYSA-N
MW424.63 g/mol
LogP6.08
Rot. Bonds8

About N-cyclohexyl-N-ethyl-3-[2-(4-propylcyclohexyl)imidazo[4,5-b]pyridin-1-yl]propanamide

N-cyclohexyl-N-ethyl-3-[2-(4-propylcyclohexyl)imidazo[4,5-b]pyridin-1-yl]propanamide (PubChem CID 129276730) has the molecular formula C26H40N4O and a molecular weight of 424.63 g/mol. Its IUPAC name is N-cyclohexyl-N-ethyl-3-[2-(4-propylcyclohexyl)imidazo[4,5-b]pyridin-1-yl]propanamide.

Molecular Properties

Compound NameN-cyclohexyl-N-ethyl-3-[2-(4-propylcyclohexyl)imidazo[4,5-b]pyridin-1-yl]propanamide
PubChem CID129276730
Molecular FormulaC26H40N4O
Molecular Weight424.63 g/mol
Exact Mass424.32
IUPAC NameN-cyclohexyl-N-ethyl-3-[2-(4-propylcyclohexyl)imidazo[4,5-b]pyridin-1-yl]propanamide
SMILESCCCC1CCC(c2nc3ncccc3n2CCC(=O)N(CC)C2CCCCC2)CC1
InChIInChI=1S/C26H40N4O/c1-3-9-20-13-15-21(16-14-20)26-28-25-23(12-8-18-27-25)30(26)19-17-24(31)29(4-2)22-10-6-5-7-11-22/h8,12,18,20-22H,3-7,9-11,13-17,19H2,1-2H3
InChIKeyLNEBQMRCEASTHD-UHFFFAOYSA-N
XLogP6.08
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.63
LogP ≤ 56.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-N-ethyl-3-[2-(4-propylcyclohexyl)imidazo[4,5-b]pyridin-1-yl]propanamide?
The IUPAC name of N-cyclohexyl-N-ethyl-3-[2-(4-propylcyclohexyl)imidazo[4,5-b]pyridin-1-yl]propanamide (CID 129276730) is N-cyclohexyl-N-ethyl-3-[2-(4-propylcyclohexyl)imidazo[4,5-b]pyridin-1-yl]propanamide.
What is the SMILES notation for N-cyclohexyl-N-ethyl-3-[2-(4-propylcyclohexyl)imidazo[4,5-b]pyridin-1-yl]propanamide?
The canonical SMILES for N-cyclohexyl-N-ethyl-3-[2-(4-propylcyclohexyl)imidazo[4,5-b]pyridin-1-yl]propanamide is CCCC1CCC(c2nc3ncccc3n2CCC(=O)N(CC)C2CCCCC2)CC1.
What is the InChIKey of N-cyclohexyl-N-ethyl-3-[2-(4-propylcyclohexyl)imidazo[4,5-b]pyridin-1-yl]propanamide?
The InChIKey is LNEBQMRCEASTHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H40N4O/c1-3-9-20-13-15-21(16-14-20)26-28-25-23(12-8-18-27-25)30(26)19-17-24(31)29(4-2)22-10-6-5-7-11-22/h8,12,18,20-22H,3-7,9-11,13-17,19H2,1-2H3.
What are the key properties of N-cyclohexyl-N-ethyl-3-[2-(4-propylcyclohexyl)imidazo[4,5-b]pyridin-1-yl]propanamide?
N-cyclohexyl-N-ethyl-3-[2-(4-propylcyclohexyl)imidazo[4,5-b]pyridin-1-yl]propanamide has a molecular weight of 424.63 g/mol, XLogP of 6.08, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-N-ethyl-3-[2-(4-propylcyclohexyl)imidazo[4,5-b]pyridin-1-yl]propanamide is sourced from PubChem (CID 129276730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).