2-[1-(8-methoxy-2-oxochromene-3-carbonyl)azetidin-3-yl]oxypyridine-4-carbonitrile

C20H15N3O5 — CID 122252443

IUPAC2-[1-(8-methoxy-2-oxochromene-3-carbonyl)azetidin-3-yl]oxypyridine-4-carbonitrile
SMILESCOc1cccc2cc(C(=O)N3CC(Oc4cc(C#N)ccn4)C3)c(=O)oc12
InChIInChI=1S/C20H15N3O5/c1-26-16-4-2-3-13-8-15(20(25)28-18(13)16)19(24)23-10-14(11-23)27-17-7-12(9-21)5-6-22-17/h2-8,14H,10-11H2,1H3
InChIKeyFPUJUQSGEAVIDL-UHFFFAOYSA-N
MW377.36 g/mol
LogP1.97
Rot. Bonds4

About 2-[1-(8-methoxy-2-oxochromene-3-carbonyl)azetidin-3-yl]oxypyridine-4-carbonitrile

2-[1-(8-methoxy-2-oxochromene-3-carbonyl)azetidin-3-yl]oxypyridine-4-carbonitrile (PubChem CID 122252443) has the molecular formula C20H15N3O5 and a molecular weight of 377.36 g/mol. Its IUPAC name is 2-[1-(8-methoxy-2-oxochromene-3-carbonyl)azetidin-3-yl]oxypyridine-4-carbonitrile.

Molecular Properties

Compound Name2-[1-(8-methoxy-2-oxochromene-3-carbonyl)azetidin-3-yl]oxypyridine-4-carbonitrile
PubChem CID122252443
Molecular FormulaC20H15N3O5
Molecular Weight377.36 g/mol
Exact Mass377.10
IUPAC Name2-[1-(8-methoxy-2-oxochromene-3-carbonyl)azetidin-3-yl]oxypyridine-4-carbonitrile
SMILESCOc1cccc2cc(C(=O)N3CC(Oc4cc(C#N)ccn4)C3)c(=O)oc12
InChIInChI=1S/C20H15N3O5/c1-26-16-4-2-3-13-8-15(20(25)28-18(13)16)19(24)23-10-14(11-23)27-17-7-12(9-21)5-6-22-17/h2-8,14H,10-11H2,1H3
InChIKeyFPUJUQSGEAVIDL-UHFFFAOYSA-N
XLogP1.97
TPSA105.66 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.36
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}

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Related Compounds

8-methoxy-3-[3-[[4-(trifluoromethyl)-2-pyridinyl]oxy]azetidine-1-carbonyl]chromen-2-one
CID 122251462
8-methoxy-3-[3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]azetidine-1-carbonyl]chromen-2-one
CID 122250951
3-[(3S,5S)-3,5-dimethylpiperidine-1-carbonyl]-8-methoxychromen-2-one
CID 2146242
3-[(4-cyano-2-pyridinyl)oxy]-N-(2,3-dimethoxyphenyl)azetidine-1-carboxamide
CID 122252567
2-[1-[3-(2-methoxyphenyl)-1-methylpyrazole-5-carbonyl]azetidin-3-yl]oxypyridine-4-carbonitrile
CID 122252461
3-[3-(4,6-dimethylpyrimidin-2-yl)oxypyrrolidine-1-carbonyl]-8-methoxychromen-2-one
CID 121017574
2-[1-[2-(2-methoxyphenoxy)acetyl]azetidin-3-yl]oxypyridine-4-carbonitrile
CID 122252345
8-methoxy-3-(4-pyridazin-3-yloxypiperidine-1-carbonyl)chromen-2-one
CID 71799381
2-[1-(5-methyl-1,2-oxazole-4-carbonyl)azetidin-3-yl]oxypyridine-4-carbonitrile
CID 122252525
8-methoxy-3-(3-pyridin-2-yloxy-8-azabicyclo[3.2.1]octane-8-carbonyl)chromen-2-one
CID 121195530
8-methoxy-3-[3-(triazol-1-yl)azetidine-1-carbonyl]chromen-2-one
CID 121154869
2-[1-(2,4-difluorobenzoyl)azetidin-3-yl]oxypyridine-4-carbonitrile
CID 122252403

Frequently Asked Questions

What is the IUPAC name of 2-[1-(8-methoxy-2-oxochromene-3-carbonyl)azetidin-3-yl]oxypyridine-4-carbonitrile?
The IUPAC name of 2-[1-(8-methoxy-2-oxochromene-3-carbonyl)azetidin-3-yl]oxypyridine-4-carbonitrile (CID 122252443) is 2-[1-(8-methoxy-2-oxochromene-3-carbonyl)azetidin-3-yl]oxypyridine-4-carbonitrile.
What is the SMILES notation for 2-[1-(8-methoxy-2-oxochromene-3-carbonyl)azetidin-3-yl]oxypyridine-4-carbonitrile?
The canonical SMILES for 2-[1-(8-methoxy-2-oxochromene-3-carbonyl)azetidin-3-yl]oxypyridine-4-carbonitrile is COc1cccc2cc(C(=O)N3CC(Oc4cc(C#N)ccn4)C3)c(=O)oc12.
What is the InChIKey of 2-[1-(8-methoxy-2-oxochromene-3-carbonyl)azetidin-3-yl]oxypyridine-4-carbonitrile?
The InChIKey is FPUJUQSGEAVIDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N3O5/c1-26-16-4-2-3-13-8-15(20(25)28-18(13)16)19(24)23-10-14(11-23)27-17-7-12(9-21)5-6-22-17/h2-8,14H,10-11H2,1H3.
What are the key properties of 2-[1-(8-methoxy-2-oxochromene-3-carbonyl)azetidin-3-yl]oxypyridine-4-carbonitrile?
2-[1-(8-methoxy-2-oxochromene-3-carbonyl)azetidin-3-yl]oxypyridine-4-carbonitrile has a molecular weight of 377.36 g/mol, XLogP of 1.97, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(8-methoxy-2-oxochromene-3-carbonyl)azetidin-3-yl]oxypyridine-4-carbonitrile is sourced from PubChem (CID 122252443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).