N-butyl-N-(2-hydroxyethyl)-3-methylimidazo[4,5-b]pyridine-6-carboxamide

C14H20N4O2 — CID 110015222

IUPACN-butyl-N-(2-hydroxyethyl)-3-methylimidazo[4,5-b]pyridine-6-carboxamide
SMILESCCCCN(CCO)C(=O)c1cnc2c(c1)ncn2C
InChIInChI=1S/C14H20N4O2/c1-3-4-5-18(6-7-19)14(20)11-8-12-13(15-9-11)17(2)10-16-12/h8-10,19H,3-7H2,1-2H3
InChIKeyOUTWUIJVIAVPMT-UHFFFAOYSA-N
MW276.34 g/mol
LogP1.20
Rot. Bonds6

About N-butyl-N-(2-hydroxyethyl)-3-methylimidazo[4,5-b]pyridine-6-carboxamide

N-butyl-N-(2-hydroxyethyl)-3-methylimidazo[4,5-b]pyridine-6-carboxamide (PubChem CID 110015222) has the molecular formula C14H20N4O2 and a molecular weight of 276.34 g/mol. Its IUPAC name is N-butyl-N-(2-hydroxyethyl)-3-methylimidazo[4,5-b]pyridine-6-carboxamide.

Molecular Properties

Compound NameN-butyl-N-(2-hydroxyethyl)-3-methylimidazo[4,5-b]pyridine-6-carboxamide
PubChem CID110015222
Molecular FormulaC14H20N4O2
Molecular Weight276.34 g/mol
Exact Mass276.16
IUPAC NameN-butyl-N-(2-hydroxyethyl)-3-methylimidazo[4,5-b]pyridine-6-carboxamide
SMILESCCCCN(CCO)C(=O)c1cnc2c(c1)ncn2C
InChIInChI=1S/C14H20N4O2/c1-3-4-5-18(6-7-19)14(20)11-8-12-13(15-9-11)17(2)10-16-12/h8-10,19H,3-7H2,1-2H3
InChIKeyOUTWUIJVIAVPMT-UHFFFAOYSA-N
XLogP1.20
TPSA71.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-butyl-N-(2-hydroxyethyl)-3-methylimidazo[4,5-b]pyridine-6-carboxamide?
The IUPAC name of N-butyl-N-(2-hydroxyethyl)-3-methylimidazo[4,5-b]pyridine-6-carboxamide (CID 110015222) is N-butyl-N-(2-hydroxyethyl)-3-methylimidazo[4,5-b]pyridine-6-carboxamide.
What is the SMILES notation for N-butyl-N-(2-hydroxyethyl)-3-methylimidazo[4,5-b]pyridine-6-carboxamide?
The canonical SMILES for N-butyl-N-(2-hydroxyethyl)-3-methylimidazo[4,5-b]pyridine-6-carboxamide is CCCCN(CCO)C(=O)c1cnc2c(c1)ncn2C.
What is the InChIKey of N-butyl-N-(2-hydroxyethyl)-3-methylimidazo[4,5-b]pyridine-6-carboxamide?
The InChIKey is OUTWUIJVIAVPMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O2/c1-3-4-5-18(6-7-19)14(20)11-8-12-13(15-9-11)17(2)10-16-12/h8-10,19H,3-7H2,1-2H3.
What are the key properties of N-butyl-N-(2-hydroxyethyl)-3-methylimidazo[4,5-b]pyridine-6-carboxamide?
N-butyl-N-(2-hydroxyethyl)-3-methylimidazo[4,5-b]pyridine-6-carboxamide has a molecular weight of 276.34 g/mol, XLogP of 1.20, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-(2-hydroxyethyl)-3-methylimidazo[4,5-b]pyridine-6-carboxamide is sourced from PubChem (CID 110015222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).