N-[2-(1H-imidazol-5-yl)ethyl]-3-(oxan-4-yl)imidazo[4,5-b]pyridine-6-carboxamide

C17H20N6O2 — CID 176501565

IUPACN-[2-(1H-imidazol-5-yl)ethyl]-3-(oxan-4-yl)imidazo[4,5-b]pyridine-6-carboxamide
SMILESO=C(NCCc1cnc[nH]1)c1cnc2c(c1)ncn2C1CCOCC1
InChIInChI=1S/C17H20N6O2/c24-17(19-4-1-13-9-18-10-21-13)12-7-15-16(20-8-12)23(11-22-15)14-2-5-25-6-3-14/h7-11,14H,1-6H2,(H,18,21)(H,19,24)
InChIKeyYYOMNWDUSZIRHJ-UHFFFAOYSA-N
MW340.39 g/mol
LogP1.48
Rot. Bonds5

About N-[2-(1H-imidazol-5-yl)ethyl]-3-(oxan-4-yl)imidazo[4,5-b]pyridine-6-carboxamide

N-[2-(1H-imidazol-5-yl)ethyl]-3-(oxan-4-yl)imidazo[4,5-b]pyridine-6-carboxamide (PubChem CID 176501565) has the molecular formula C17H20N6O2 and a molecular weight of 340.39 g/mol. Its IUPAC name is N-[2-(1H-imidazol-5-yl)ethyl]-3-(oxan-4-yl)imidazo[4,5-b]pyridine-6-carboxamide.

Molecular Properties

Compound NameN-[2-(1H-imidazol-5-yl)ethyl]-3-(oxan-4-yl)imidazo[4,5-b]pyridine-6-carboxamide
PubChem CID176501565
Molecular FormulaC17H20N6O2
Molecular Weight340.39 g/mol
Exact Mass340.16
IUPAC NameN-[2-(1H-imidazol-5-yl)ethyl]-3-(oxan-4-yl)imidazo[4,5-b]pyridine-6-carboxamide
SMILESO=C(NCCc1cnc[nH]1)c1cnc2c(c1)ncn2C1CCOCC1
InChIInChI=1S/C17H20N6O2/c24-17(19-4-1-13-9-18-10-21-13)12-7-15-16(20-8-12)23(11-22-15)14-2-5-25-6-3-14/h7-11,14H,1-6H2,(H,18,21)(H,19,24)
InChIKeyYYOMNWDUSZIRHJ-UHFFFAOYSA-N
XLogP1.48
TPSA97.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.39
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

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-phenylimidazo[4,5-b]pyridine-6-carboxamide
CID 175641659
3-cyclopentyl-N-[2-(2-methyl-1,2,4-triazol-3-yl)ethyl]imidazo[4,5-b]pyridine-6-carboxamide
CID 176506597
3-(oxan-4-yl)-N-(1,3,6-trimethyl-2-oxobenzimidazol-5-yl)imidazo[4,5-b]pyridine-6-carboxamide
CID 176504449
N-(2-chloro-4-methylphenyl)-3-(oxan-4-yl)imidazo[4,5-b]pyridine-6-carboxamide
CID 175644255
N-[2-(1H-imidazol-5-yl)ethyl]-1-(oxan-4-yl)piperidine-3-carboxamide
CID 72876993
N-benzyl-N-methyl-3-(oxan-4-yl)imidazo[4,5-b]pyridine-6-carboxamide
CID 175646445
N-[1-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-3-(oxan-4-yl)imidazo[4,5-b]pyridine-6-carboxamide
CID 176503974
N-(3-cyano-4-fluorophenyl)-3-(oxan-4-yl)imidazo[4,5-b]pyridine-6-carboxamide
CID 175643763
N-[(1-methylimidazol-2-yl)methyl]-3-(oxan-4-yl)-N-propylimidazo[4,5-b]pyridine-6-carboxamide
CID 176500132
3-cyclopentyl-N-[4-(morpholin-4-ylmethyl)phenyl]imidazo[4,5-b]pyridine-6-carboxamide
CID 175645216

Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-imidazol-5-yl)ethyl]-3-(oxan-4-yl)imidazo[4,5-b]pyridine-6-carboxamide?
The IUPAC name of N-[2-(1H-imidazol-5-yl)ethyl]-3-(oxan-4-yl)imidazo[4,5-b]pyridine-6-carboxamide (CID 176501565) is N-[2-(1H-imidazol-5-yl)ethyl]-3-(oxan-4-yl)imidazo[4,5-b]pyridine-6-carboxamide.
What is the SMILES notation for N-[2-(1H-imidazol-5-yl)ethyl]-3-(oxan-4-yl)imidazo[4,5-b]pyridine-6-carboxamide?
The canonical SMILES for N-[2-(1H-imidazol-5-yl)ethyl]-3-(oxan-4-yl)imidazo[4,5-b]pyridine-6-carboxamide is O=C(NCCc1cnc[nH]1)c1cnc2c(c1)ncn2C1CCOCC1.
What is the InChIKey of N-[2-(1H-imidazol-5-yl)ethyl]-3-(oxan-4-yl)imidazo[4,5-b]pyridine-6-carboxamide?
The InChIKey is YYOMNWDUSZIRHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N6O2/c24-17(19-4-1-13-9-18-10-21-13)12-7-15-16(20-8-12)23(11-22-15)14-2-5-25-6-3-14/h7-11,14H,1-6H2,(H,18,21)(H,19,24).
What are the key properties of N-[2-(1H-imidazol-5-yl)ethyl]-3-(oxan-4-yl)imidazo[4,5-b]pyridine-6-carboxamide?
N-[2-(1H-imidazol-5-yl)ethyl]-3-(oxan-4-yl)imidazo[4,5-b]pyridine-6-carboxamide has a molecular weight of 340.39 g/mol, XLogP of 1.48, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1H-imidazol-5-yl)ethyl]-3-(oxan-4-yl)imidazo[4,5-b]pyridine-6-carboxamide is sourced from PubChem (CID 176501565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).