N-(1,3-benzodioxol-4-ylmethyl)-2,7-dimethyl-N-(3-phenylpropyl)imidazo[1,2-a]pyridine-3-carboxamide

C27H27N3O3 — CID 42794021

IUPACN-(1,3-benzodioxol-4-ylmethyl)-2,7-dimethyl-N-(3-phenylpropyl)imidazo[1,2-a]pyridine-3-carboxamide
SMILESCc1ccn2c(C(=O)N(CCCc3ccccc3)Cc3cccc4c3OCO4)c(C)nc2c1
InChIInChI=1S/C27H27N3O3/c1-19-13-15-30-24(16-19)28-20(2)25(30)27(31)29(14-7-10-21-8-4-3-5-9-21)17-22-11-6-12-23-26(22)33-18-32-23/h3-6,8-9,11-13,15-16H,7,10,14,17-18H2,1-2H3
InChIKeyNSUDWEBHSZUIPJ-UHFFFAOYSA-N
MW441.53 g/mol
LogP4.96
Rot. Bonds7

About N-(1,3-benzodioxol-4-ylmethyl)-2,7-dimethyl-N-(3-phenylpropyl)imidazo[1,2-a]pyridine-3-carboxamide

N-(1,3-benzodioxol-4-ylmethyl)-2,7-dimethyl-N-(3-phenylpropyl)imidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 42794021) has the molecular formula C27H27N3O3 and a molecular weight of 441.53 g/mol. Its IUPAC name is N-(1,3-benzodioxol-4-ylmethyl)-2,7-dimethyl-N-(3-phenylpropyl)imidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-4-ylmethyl)-2,7-dimethyl-N-(3-phenylpropyl)imidazo[1,2-a]pyridine-3-carboxamide
PubChem CID42794021
Molecular FormulaC27H27N3O3
Molecular Weight441.53 g/mol
Exact Mass441.21
IUPAC NameN-(1,3-benzodioxol-4-ylmethyl)-2,7-dimethyl-N-(3-phenylpropyl)imidazo[1,2-a]pyridine-3-carboxamide
SMILESCc1ccn2c(C(=O)N(CCCc3ccccc3)Cc3cccc4c3OCO4)c(C)nc2c1
InChIInChI=1S/C27H27N3O3/c1-19-13-15-30-24(16-19)28-20(2)25(30)27(31)29(14-7-10-21-8-4-3-5-9-21)17-22-11-6-12-23-26(22)33-18-32-23/h3-6,8-9,11-13,15-16H,7,10,14,17-18H2,1-2H3
InChIKeyNSUDWEBHSZUIPJ-UHFFFAOYSA-N
XLogP4.96
TPSA56.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.53
LogP ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-4-ylmethyl)-2,7-dimethyl-N-(3-phenylpropyl)imidazo[1,2-a]pyridine-3-carboxamide?
The IUPAC name of N-(1,3-benzodioxol-4-ylmethyl)-2,7-dimethyl-N-(3-phenylpropyl)imidazo[1,2-a]pyridine-3-carboxamide (CID 42794021) is N-(1,3-benzodioxol-4-ylmethyl)-2,7-dimethyl-N-(3-phenylpropyl)imidazo[1,2-a]pyridine-3-carboxamide.
What is the SMILES notation for N-(1,3-benzodioxol-4-ylmethyl)-2,7-dimethyl-N-(3-phenylpropyl)imidazo[1,2-a]pyridine-3-carboxamide?
The canonical SMILES for N-(1,3-benzodioxol-4-ylmethyl)-2,7-dimethyl-N-(3-phenylpropyl)imidazo[1,2-a]pyridine-3-carboxamide is Cc1ccn2c(C(=O)N(CCCc3ccccc3)Cc3cccc4c3OCO4)c(C)nc2c1.
What is the InChIKey of N-(1,3-benzodioxol-4-ylmethyl)-2,7-dimethyl-N-(3-phenylpropyl)imidazo[1,2-a]pyridine-3-carboxamide?
The InChIKey is NSUDWEBHSZUIPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27N3O3/c1-19-13-15-30-24(16-19)28-20(2)25(30)27(31)29(14-7-10-21-8-4-3-5-9-21)17-22-11-6-12-23-26(22)33-18-32-23/h3-6,8-9,11-13,15-16H,7,10,14,17-18H2,1-2H3.
What are the key properties of N-(1,3-benzodioxol-4-ylmethyl)-2,7-dimethyl-N-(3-phenylpropyl)imidazo[1,2-a]pyridine-3-carboxamide?
N-(1,3-benzodioxol-4-ylmethyl)-2,7-dimethyl-N-(3-phenylpropyl)imidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 441.53 g/mol, XLogP of 4.96, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-4-ylmethyl)-2,7-dimethyl-N-(3-phenylpropyl)imidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 42794021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).