6-(1,3-benzodioxol-5-yl)-N-(cyclopropylmethyl)imidazo[1,2-a]pyridine-2-carboxamide

C19H17N3O3 — CID 42876617

IUPAC6-(1,3-benzodioxol-5-yl)-N-(cyclopropylmethyl)imidazo[1,2-a]pyridine-2-carboxamide
SMILESO=C(NCC1CC1)c1cn2cc(-c3ccc4c(c3)OCO4)ccc2n1
InChIInChI=1S/C19H17N3O3/c23-19(20-8-12-1-2-12)15-10-22-9-14(4-6-18(22)21-15)13-3-5-16-17(7-13)25-11-24-16/h3-7,9-10,12H,1-2,8,11H2,(H,20,23)
InChIKeyZNNFDKJDEXEFSY-UHFFFAOYSA-N
MW335.36 g/mol
LogP2.87
Rot. Bonds4

About 6-(1,3-benzodioxol-5-yl)-N-(cyclopropylmethyl)imidazo[1,2-a]pyridine-2-carboxamide

6-(1,3-benzodioxol-5-yl)-N-(cyclopropylmethyl)imidazo[1,2-a]pyridine-2-carboxamide (PubChem CID 42876617) has the molecular formula C19H17N3O3 and a molecular weight of 335.36 g/mol. Its IUPAC name is 6-(1,3-benzodioxol-5-yl)-N-(cyclopropylmethyl)imidazo[1,2-a]pyridine-2-carboxamide.

Molecular Properties

Compound Name6-(1,3-benzodioxol-5-yl)-N-(cyclopropylmethyl)imidazo[1,2-a]pyridine-2-carboxamide
PubChem CID42876617
Molecular FormulaC19H17N3O3
Molecular Weight335.36 g/mol
Exact Mass335.13
IUPAC Name6-(1,3-benzodioxol-5-yl)-N-(cyclopropylmethyl)imidazo[1,2-a]pyridine-2-carboxamide
SMILESO=C(NCC1CC1)c1cn2cc(-c3ccc4c(c3)OCO4)ccc2n1
InChIInChI=1S/C19H17N3O3/c23-19(20-8-12-1-2-12)15-10-22-9-14(4-6-18(22)21-15)13-3-5-16-17(7-13)25-11-24-16/h3-7,9-10,12H,1-2,8,11H2,(H,20,23)
InChIKeyZNNFDKJDEXEFSY-UHFFFAOYSA-N
XLogP2.87
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.36
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(1,3-benzodioxol-5-yl)-N-(cyclopropylmethyl)imidazo[1,2-a]pyridine-2-carboxamide?
The IUPAC name of 6-(1,3-benzodioxol-5-yl)-N-(cyclopropylmethyl)imidazo[1,2-a]pyridine-2-carboxamide (CID 42876617) is 6-(1,3-benzodioxol-5-yl)-N-(cyclopropylmethyl)imidazo[1,2-a]pyridine-2-carboxamide.
What is the SMILES notation for 6-(1,3-benzodioxol-5-yl)-N-(cyclopropylmethyl)imidazo[1,2-a]pyridine-2-carboxamide?
The canonical SMILES for 6-(1,3-benzodioxol-5-yl)-N-(cyclopropylmethyl)imidazo[1,2-a]pyridine-2-carboxamide is O=C(NCC1CC1)c1cn2cc(-c3ccc4c(c3)OCO4)ccc2n1.
What is the InChIKey of 6-(1,3-benzodioxol-5-yl)-N-(cyclopropylmethyl)imidazo[1,2-a]pyridine-2-carboxamide?
The InChIKey is ZNNFDKJDEXEFSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O3/c23-19(20-8-12-1-2-12)15-10-22-9-14(4-6-18(22)21-15)13-3-5-16-17(7-13)25-11-24-16/h3-7,9-10,12H,1-2,8,11H2,(H,20,23).
What are the key properties of 6-(1,3-benzodioxol-5-yl)-N-(cyclopropylmethyl)imidazo[1,2-a]pyridine-2-carboxamide?
6-(1,3-benzodioxol-5-yl)-N-(cyclopropylmethyl)imidazo[1,2-a]pyridine-2-carboxamide has a molecular weight of 335.36 g/mol, XLogP of 2.87, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1,3-benzodioxol-5-yl)-N-(cyclopropylmethyl)imidazo[1,2-a]pyridine-2-carboxamide is sourced from PubChem (CID 42876617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).