2-(3-methoxyphenyl)-N-[4-[(2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-7-yl)oxy]phenyl]acetamide

C21H18N4O4 — CID 42625245

IUPAC2-(3-methoxyphenyl)-N-[4-[(2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-7-yl)oxy]phenyl]acetamide
SMILESCOc1cccc(CC(=O)Nc2ccc(Oc3ccnc4[nH]c(=O)[nH]c34)cc2)c1
InChIInChI=1S/C21H18N4O4/c1-28-16-4-2-3-13(11-16)12-18(26)23-14-5-7-15(8-6-14)29-17-9-10-22-20-19(17)24-21(27)25-20/h2-11H,12H2,1H3,(H,23,26)(H2,22,24,25,27)
InChIKeyCRLXNFWDRUEBSQ-UHFFFAOYSA-N
MW390.40 g/mol
LogP3.23
Rot. Bonds6

About 2-(3-methoxyphenyl)-N-[4-[(2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-7-yl)oxy]phenyl]acetamide

2-(3-methoxyphenyl)-N-[4-[(2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-7-yl)oxy]phenyl]acetamide (PubChem CID 42625245) has the molecular formula C21H18N4O4 and a molecular weight of 390.40 g/mol. Its IUPAC name is 2-(3-methoxyphenyl)-N-[4-[(2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-7-yl)oxy]phenyl]acetamide.

Molecular Properties

Compound Name2-(3-methoxyphenyl)-N-[4-[(2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-7-yl)oxy]phenyl]acetamide
PubChem CID42625245
Molecular FormulaC21H18N4O4
Molecular Weight390.40 g/mol
Exact Mass390.13
IUPAC Name2-(3-methoxyphenyl)-N-[4-[(2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-7-yl)oxy]phenyl]acetamide
SMILESCOc1cccc(CC(=O)Nc2ccc(Oc3ccnc4[nH]c(=O)[nH]c34)cc2)c1
InChIInChI=1S/C21H18N4O4/c1-28-16-4-2-3-13(11-16)12-18(26)23-14-5-7-15(8-6-14)29-17-9-10-22-20-19(17)24-21(27)25-20/h2-11H,12H2,1H3,(H,23,26)(H2,22,24,25,27)
InChIKeyCRLXNFWDRUEBSQ-UHFFFAOYSA-N
XLogP3.23
TPSA109.10 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.40
LogP ≤ 53.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxyphenyl)-N-[4-[(2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-7-yl)oxy]phenyl]acetamide?
The IUPAC name of 2-(3-methoxyphenyl)-N-[4-[(2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-7-yl)oxy]phenyl]acetamide (CID 42625245) is 2-(3-methoxyphenyl)-N-[4-[(2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-7-yl)oxy]phenyl]acetamide.
What is the SMILES notation for 2-(3-methoxyphenyl)-N-[4-[(2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-7-yl)oxy]phenyl]acetamide?
The canonical SMILES for 2-(3-methoxyphenyl)-N-[4-[(2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-7-yl)oxy]phenyl]acetamide is COc1cccc(CC(=O)Nc2ccc(Oc3ccnc4[nH]c(=O)[nH]c34)cc2)c1.
What is the InChIKey of 2-(3-methoxyphenyl)-N-[4-[(2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-7-yl)oxy]phenyl]acetamide?
The InChIKey is CRLXNFWDRUEBSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4O4/c1-28-16-4-2-3-13(11-16)12-18(26)23-14-5-7-15(8-6-14)29-17-9-10-22-20-19(17)24-21(27)25-20/h2-11H,12H2,1H3,(H,23,26)(H2,22,24,25,27).
What are the key properties of 2-(3-methoxyphenyl)-N-[4-[(2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-7-yl)oxy]phenyl]acetamide?
2-(3-methoxyphenyl)-N-[4-[(2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-7-yl)oxy]phenyl]acetamide has a molecular weight of 390.40 g/mol, XLogP of 3.23, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxyphenyl)-N-[4-[(2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-7-yl)oxy]phenyl]acetamide is sourced from PubChem (CID 42625245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).