1,2-dimethoxybenzene;N-[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)-2-pyridinyl]acetamide

C21H20N4O4 — CID 143409399

IUPAC1,2-dimethoxybenzene;N-[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)-2-pyridinyl]acetamide
SMILESCC(=O)Nc1cc(-c2nc3ncccc3o2)ccn1.COc1ccccc1OC
InChIInChI=1S/C13H10N4O2.C8H10O2/c1-8(18)16-11-7-9(4-6-14-11)13-17-12-10(19-13)3-2-5-15-12;1-9-7-5-3-4-6-8(7)10-2/h2-7H,1H3,(H,14,16,18);3-6H,1-2H3
InChIKeyCAQJZORNDIRJNH-UHFFFAOYSA-N
MW392.42 g/mol
LogP3.95
Rot. Bonds4

About 1,2-dimethoxybenzene;N-[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)-2-pyridinyl]acetamide

1,2-dimethoxybenzene;N-[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)-2-pyridinyl]acetamide (PubChem CID 143409399) has the molecular formula C21H20N4O4 and a molecular weight of 392.42 g/mol. Its IUPAC name is 1,2-dimethoxybenzene;N-[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)-2-pyridinyl]acetamide.

Molecular Properties

Compound Name1,2-dimethoxybenzene;N-[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)-2-pyridinyl]acetamide
PubChem CID143409399
Molecular FormulaC21H20N4O4
Molecular Weight392.42 g/mol
Exact Mass392.15
IUPAC Name1,2-dimethoxybenzene;N-[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)-2-pyridinyl]acetamide
SMILESCC(=O)Nc1cc(-c2nc3ncccc3o2)ccn1.COc1ccccc1OC
InChIInChI=1S/C13H10N4O2.C8H10O2/c1-8(18)16-11-7-9(4-6-14-11)13-17-12-10(19-13)3-2-5-15-12;1-9-7-5-3-4-6-8(7)10-2/h2-7H,1H3,(H,14,16,18);3-6H,1-2H3
InChIKeyCAQJZORNDIRJNH-UHFFFAOYSA-N
XLogP3.95
TPSA99.37 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.42
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-hydroxy-3-methoxy-N-[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)-2-pyridinyl]benzamide
CID 71217839
(3,4,5-trimethoxyphenyl) N-[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)-2-pyridinyl]carbamate
CID 59680281
3-methoxy-N-[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)-2-pyridinyl]-4-(piperazin-1-ylmethyl)benzamide
CID 59680416
N-[2-methoxy-5-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]propanamide
CID 6496968
N-[2-methoxy-5-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]-3-phenylprop-2-enamide
CID 71965790
N-[(4-methoxyphenyl)-methylidene-oxo-λ6-sulfanyl]-4-([1,3]oxazolo[4,5-b]pyridin-2-yl)pyridin-2-amine
CID 88585423
N-[2-methoxy-5-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]-2-phenoxyacetamide
CID 6496988
2-methoxy-N-[[2-methyl-5-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]carbamothioyl]benzamide
CID 1139533
N-[2-methoxy-5-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]-1-phenylcyclopentane-1-carboxamide
CID 22587197
3-bromo-4-methoxy-N-[2-methoxy-5-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]benzamide
CID 6497006
2-(3-methoxy-4-pyridin-2-ylphenyl)-[1,3]oxazolo[4,5-b]pyridine
CID 10286338
N-[[2-methyl-5-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]carbamothioyl]acetamide
CID 6457260

Frequently Asked Questions

What is the IUPAC name of 1,2-dimethoxybenzene;N-[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)-2-pyridinyl]acetamide?
The IUPAC name of 1,2-dimethoxybenzene;N-[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)-2-pyridinyl]acetamide (CID 143409399) is 1,2-dimethoxybenzene;N-[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)-2-pyridinyl]acetamide.
What is the SMILES notation for 1,2-dimethoxybenzene;N-[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)-2-pyridinyl]acetamide?
The canonical SMILES for 1,2-dimethoxybenzene;N-[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)-2-pyridinyl]acetamide is CC(=O)Nc1cc(-c2nc3ncccc3o2)ccn1.COc1ccccc1OC.
What is the InChIKey of 1,2-dimethoxybenzene;N-[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)-2-pyridinyl]acetamide?
The InChIKey is CAQJZORNDIRJNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N4O2.C8H10O2/c1-8(18)16-11-7-9(4-6-14-11)13-17-12-10(19-13)3-2-5-15-12;1-9-7-5-3-4-6-8(7)10-2/h2-7H,1H3,(H,14,16,18);3-6H,1-2H3.
What are the key properties of 1,2-dimethoxybenzene;N-[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)-2-pyridinyl]acetamide?
1,2-dimethoxybenzene;N-[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)-2-pyridinyl]acetamide has a molecular weight of 392.42 g/mol, XLogP of 3.95, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethoxybenzene;N-[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)-2-pyridinyl]acetamide is sourced from PubChem (CID 143409399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).