N-[(1-methylimidazol-2-yl)methyl]-3-(oxan-4-yl)-N-propylimidazo[4,5-b]pyridine-6-carboxamide

C20H26N6O2 — CID 176500132

IUPACN-[(1-methylimidazol-2-yl)methyl]-3-(oxan-4-yl)-N-propylimidazo[4,5-b]pyridine-6-carboxamide
SMILESCCCN(Cc1nccn1C)C(=O)c1cnc2c(c1)ncn2C1CCOCC1
InChIInChI=1S/C20H26N6O2/c1-3-7-25(13-18-21-6-8-24(18)2)20(27)15-11-17-19(22-12-15)26(14-23-17)16-4-9-28-10-5-16/h6,8,11-12,14,16H,3-5,7,9-10,13H2,1-2H3
InChIKeyKJDZTXZSECZESN-UHFFFAOYSA-N
MW382.47 g/mol
LogP2.57
Rot. Bonds6

About N-[(1-methylimidazol-2-yl)methyl]-3-(oxan-4-yl)-N-propylimidazo[4,5-b]pyridine-6-carboxamide

N-[(1-methylimidazol-2-yl)methyl]-3-(oxan-4-yl)-N-propylimidazo[4,5-b]pyridine-6-carboxamide (PubChem CID 176500132) has the molecular formula C20H26N6O2 and a molecular weight of 382.47 g/mol. Its IUPAC name is N-[(1-methylimidazol-2-yl)methyl]-3-(oxan-4-yl)-N-propylimidazo[4,5-b]pyridine-6-carboxamide.

Molecular Properties

Compound NameN-[(1-methylimidazol-2-yl)methyl]-3-(oxan-4-yl)-N-propylimidazo[4,5-b]pyridine-6-carboxamide
PubChem CID176500132
Molecular FormulaC20H26N6O2
Molecular Weight382.47 g/mol
Exact Mass382.21
IUPAC NameN-[(1-methylimidazol-2-yl)methyl]-3-(oxan-4-yl)-N-propylimidazo[4,5-b]pyridine-6-carboxamide
SMILESCCCN(Cc1nccn1C)C(=O)c1cnc2c(c1)ncn2C1CCOCC1
InChIInChI=1S/C20H26N6O2/c1-3-7-25(13-18-21-6-8-24(18)2)20(27)15-11-17-19(22-12-15)26(14-23-17)16-4-9-28-10-5-16/h6,8,11-12,14,16H,3-5,7,9-10,13H2,1-2H3
InChIKeyKJDZTXZSECZESN-UHFFFAOYSA-N
XLogP2.57
TPSA78.07 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.47
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze N-[(1-methylimidazol-2-yl)methyl]-3-(oxan-4-yl)-N-propylimidazo[4,5-b]pyridine-6-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-benzyl-N-methyl-3-(oxan-4-yl)imidazo[4,5-b]pyridine-6-carboxamide
CID 175646445
3-cyclopropyl-N-(2-hydroxyethyl)-N-[(5-methylthiophen-2-yl)methyl]imidazo[4,5-b]pyridine-6-carboxamide
CID 176502241
N-methyl-3-(oxan-4-yl)-N-[(3-pyridin-4-yl-1,2-oxazol-5-yl)methyl]imidazo[4,5-b]pyridine-6-carboxamide
CID 176501303
3-cyclopropyl-N-(2-morpholin-4-ylethyl)imidazo[4,5-b]pyridine-6-carboxamide
CID 175644669
N-[3-(3,5-dimethyl-1,2,4-triazol-1-yl)propyl]-3-(oxan-4-yl)imidazo[4,5-b]pyridine-6-carboxamide
CID 176504000
N-[2-(1H-imidazol-5-yl)ethyl]-3-(oxan-4-yl)imidazo[4,5-b]pyridine-6-carboxamide
CID 176501565
3-(oxan-4-yl)-N-(1,3,6-trimethyl-2-oxobenzimidazol-5-yl)imidazo[4,5-b]pyridine-6-carboxamide
CID 176504449
2-amino-N-cyclopropyl-3-ethyl-N-[(1-methylimidazol-2-yl)methyl]imidazo[4,5-b]pyridine-6-carboxamide
CID 70758986
6-cyclobutyl-4-methyl-N-[(1-methylimidazol-2-yl)methyl]-2-oxo-N-propylpyran-3-carboxamide
CID 170503707
[2-(aminomethyl)piperidin-1-yl]-[3-(oxan-4-yl)imidazo[4,5-b]pyridin-6-yl]methanone
CID 176506235
1-methyl-N-[(1-methylimidazol-2-yl)methyl]-N-propylpyrrolo[2,3-b]pyridine-6-carboxamide
CID 157011985
N-[1-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-3-(oxan-4-yl)imidazo[4,5-b]pyridine-6-carboxamide
CID 176503974

Frequently Asked Questions

What is the IUPAC name of N-[(1-methylimidazol-2-yl)methyl]-3-(oxan-4-yl)-N-propylimidazo[4,5-b]pyridine-6-carboxamide?
The IUPAC name of N-[(1-methylimidazol-2-yl)methyl]-3-(oxan-4-yl)-N-propylimidazo[4,5-b]pyridine-6-carboxamide (CID 176500132) is N-[(1-methylimidazol-2-yl)methyl]-3-(oxan-4-yl)-N-propylimidazo[4,5-b]pyridine-6-carboxamide.
What is the SMILES notation for N-[(1-methylimidazol-2-yl)methyl]-3-(oxan-4-yl)-N-propylimidazo[4,5-b]pyridine-6-carboxamide?
The canonical SMILES for N-[(1-methylimidazol-2-yl)methyl]-3-(oxan-4-yl)-N-propylimidazo[4,5-b]pyridine-6-carboxamide is CCCN(Cc1nccn1C)C(=O)c1cnc2c(c1)ncn2C1CCOCC1.
What is the InChIKey of N-[(1-methylimidazol-2-yl)methyl]-3-(oxan-4-yl)-N-propylimidazo[4,5-b]pyridine-6-carboxamide?
The InChIKey is KJDZTXZSECZESN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N6O2/c1-3-7-25(13-18-21-6-8-24(18)2)20(27)15-11-17-19(22-12-15)26(14-23-17)16-4-9-28-10-5-16/h6,8,11-12,14,16H,3-5,7,9-10,13H2,1-2H3.
What are the key properties of N-[(1-methylimidazol-2-yl)methyl]-3-(oxan-4-yl)-N-propylimidazo[4,5-b]pyridine-6-carboxamide?
N-[(1-methylimidazol-2-yl)methyl]-3-(oxan-4-yl)-N-propylimidazo[4,5-b]pyridine-6-carboxamide has a molecular weight of 382.47 g/mol, XLogP of 2.57, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylimidazol-2-yl)methyl]-3-(oxan-4-yl)-N-propylimidazo[4,5-b]pyridine-6-carboxamide is sourced from PubChem (CID 176500132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).