N-(1-hydroxybutan-2-yl)-5-methylimidazo[1,2-a]pyridine-2-carboxamide

C13H17N3O2 — CID 43417880

IUPACN-(1-hydroxybutan-2-yl)-5-methylimidazo[1,2-a]pyridine-2-carboxamide
SMILESCCC(CO)NC(=O)c1cn2c(C)cccc2n1
InChIInChI=1S/C13H17N3O2/c1-3-10(8-17)14-13(18)11-7-16-9(2)5-4-6-12(16)15-11/h4-7,10,17H,3,8H2,1-2H3,(H,14,18)
InChIKeyBAQTWVLYQRXRKL-UHFFFAOYSA-N
MW247.30 g/mol
LogP1.14
Rot. Bonds4

About N-(1-hydroxybutan-2-yl)-5-methylimidazo[1,2-a]pyridine-2-carboxamide

N-(1-hydroxybutan-2-yl)-5-methylimidazo[1,2-a]pyridine-2-carboxamide (PubChem CID 43417880) has the molecular formula C13H17N3O2 and a molecular weight of 247.30 g/mol. Its IUPAC name is N-(1-hydroxybutan-2-yl)-5-methylimidazo[1,2-a]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(1-hydroxybutan-2-yl)-5-methylimidazo[1,2-a]pyridine-2-carboxamide
PubChem CID43417880
Molecular FormulaC13H17N3O2
Molecular Weight247.30 g/mol
Exact Mass247.13
IUPAC NameN-(1-hydroxybutan-2-yl)-5-methylimidazo[1,2-a]pyridine-2-carboxamide
SMILESCCC(CO)NC(=O)c1cn2c(C)cccc2n1
InChIInChI=1S/C13H17N3O2/c1-3-10(8-17)14-13(18)11-7-16-9(2)5-4-6-12(16)15-11/h4-7,10,17H,3,8H2,1-2H3,(H,14,18)
InChIKeyBAQTWVLYQRXRKL-UHFFFAOYSA-N
XLogP1.14
TPSA66.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxybutan-2-yl)-5-methylimidazo[1,2-a]pyridine-2-carboxamide?
The IUPAC name of N-(1-hydroxybutan-2-yl)-5-methylimidazo[1,2-a]pyridine-2-carboxamide (CID 43417880) is N-(1-hydroxybutan-2-yl)-5-methylimidazo[1,2-a]pyridine-2-carboxamide.
What is the SMILES notation for N-(1-hydroxybutan-2-yl)-5-methylimidazo[1,2-a]pyridine-2-carboxamide?
The canonical SMILES for N-(1-hydroxybutan-2-yl)-5-methylimidazo[1,2-a]pyridine-2-carboxamide is CCC(CO)NC(=O)c1cn2c(C)cccc2n1.
What is the InChIKey of N-(1-hydroxybutan-2-yl)-5-methylimidazo[1,2-a]pyridine-2-carboxamide?
The InChIKey is BAQTWVLYQRXRKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2/c1-3-10(8-17)14-13(18)11-7-16-9(2)5-4-6-12(16)15-11/h4-7,10,17H,3,8H2,1-2H3,(H,14,18).
What are the key properties of N-(1-hydroxybutan-2-yl)-5-methylimidazo[1,2-a]pyridine-2-carboxamide?
N-(1-hydroxybutan-2-yl)-5-methylimidazo[1,2-a]pyridine-2-carboxamide has a molecular weight of 247.30 g/mol, XLogP of 1.14, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxybutan-2-yl)-5-methylimidazo[1,2-a]pyridine-2-carboxamide is sourced from PubChem (CID 43417880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).