N-cyclopropyl-2-[6-(3-methoxyphenyl)-2-oxo-3H-imidazo[4,5-b]pyridin-1-yl]acetamide

C18H18N4O3 — CID 134494082

IUPACN-cyclopropyl-2-[6-(3-methoxyphenyl)-2-oxo-3H-imidazo[4,5-b]pyridin-1-yl]acetamide
SMILESCOc1cccc(-c2cnc3[nH]c(=O)n(CC(=O)NC4CC4)c3c2)c1
InChIInChI=1S/C18H18N4O3/c1-25-14-4-2-3-11(7-14)12-8-15-17(19-9-12)21-18(24)22(15)10-16(23)20-13-5-6-13/h2-4,7-9,13H,5-6,10H2,1H3,(H,20,23)(H,19,21,24)
InChIKeyGXDVMNHYIORGBE-UHFFFAOYSA-N
MW338.37 g/mol
LogP1.68
Rot. Bonds5

About N-cyclopropyl-2-[6-(3-methoxyphenyl)-2-oxo-3H-imidazo[4,5-b]pyridin-1-yl]acetamide

N-cyclopropyl-2-[6-(3-methoxyphenyl)-2-oxo-3H-imidazo[4,5-b]pyridin-1-yl]acetamide (PubChem CID 134494082) has the molecular formula C18H18N4O3 and a molecular weight of 338.37 g/mol. Its IUPAC name is N-cyclopropyl-2-[6-(3-methoxyphenyl)-2-oxo-3H-imidazo[4,5-b]pyridin-1-yl]acetamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[6-(3-methoxyphenyl)-2-oxo-3H-imidazo[4,5-b]pyridin-1-yl]acetamide
PubChem CID134494082
Molecular FormulaC18H18N4O3
Molecular Weight338.37 g/mol
Exact Mass338.14
IUPAC NameN-cyclopropyl-2-[6-(3-methoxyphenyl)-2-oxo-3H-imidazo[4,5-b]pyridin-1-yl]acetamide
SMILESCOc1cccc(-c2cnc3[nH]c(=O)n(CC(=O)NC4CC4)c3c2)c1
InChIInChI=1S/C18H18N4O3/c1-25-14-4-2-3-11(7-14)12-8-15-17(19-9-12)21-18(24)22(15)10-16(23)20-13-5-6-13/h2-4,7-9,13H,5-6,10H2,1H3,(H,20,23)(H,19,21,24)
InChIKeyGXDVMNHYIORGBE-UHFFFAOYSA-N
XLogP1.68
TPSA89.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.37
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[6-(3-methoxyphenyl)-2-oxo-3H-imidazo[4,5-b]pyridin-1-yl]acetamide?
The IUPAC name of N-cyclopropyl-2-[6-(3-methoxyphenyl)-2-oxo-3H-imidazo[4,5-b]pyridin-1-yl]acetamide (CID 134494082) is N-cyclopropyl-2-[6-(3-methoxyphenyl)-2-oxo-3H-imidazo[4,5-b]pyridin-1-yl]acetamide.
What is the SMILES notation for N-cyclopropyl-2-[6-(3-methoxyphenyl)-2-oxo-3H-imidazo[4,5-b]pyridin-1-yl]acetamide?
The canonical SMILES for N-cyclopropyl-2-[6-(3-methoxyphenyl)-2-oxo-3H-imidazo[4,5-b]pyridin-1-yl]acetamide is COc1cccc(-c2cnc3[nH]c(=O)n(CC(=O)NC4CC4)c3c2)c1.
What is the InChIKey of N-cyclopropyl-2-[6-(3-methoxyphenyl)-2-oxo-3H-imidazo[4,5-b]pyridin-1-yl]acetamide?
The InChIKey is GXDVMNHYIORGBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O3/c1-25-14-4-2-3-11(7-14)12-8-15-17(19-9-12)21-18(24)22(15)10-16(23)20-13-5-6-13/h2-4,7-9,13H,5-6,10H2,1H3,(H,20,23)(H,19,21,24).
What are the key properties of N-cyclopropyl-2-[6-(3-methoxyphenyl)-2-oxo-3H-imidazo[4,5-b]pyridin-1-yl]acetamide?
N-cyclopropyl-2-[6-(3-methoxyphenyl)-2-oxo-3H-imidazo[4,5-b]pyridin-1-yl]acetamide has a molecular weight of 338.37 g/mol, XLogP of 1.68, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[6-(3-methoxyphenyl)-2-oxo-3H-imidazo[4,5-b]pyridin-1-yl]acetamide is sourced from PubChem (CID 134494082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).