6-[1-(1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carbonyl)azetidin-3-yl]oxypyridine-3-carbonitrile

C21H19N5O3 — CID 122248820

IUPAC6-[1-(1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carbonyl)azetidin-3-yl]oxypyridine-3-carbonitrile
SMILESCCn1cc(C(=O)N2CC(Oc3ccc(C#N)cn3)C2)c(=O)c2ccc(C)nc21
InChIInChI=1S/C21H19N5O3/c1-3-25-12-17(19(27)16-6-4-13(2)24-20(16)25)21(28)26-10-15(11-26)29-18-7-5-14(8-22)9-23-18/h4-7,9,12,15H,3,10-11H2,1-2H3
InChIKeyHKVOVYHFMVCAGA-UHFFFAOYSA-N
MW389.42 g/mol
LogP1.89
Rot. Bonds4

About 6-[1-(1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carbonyl)azetidin-3-yl]oxypyridine-3-carbonitrile

6-[1-(1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carbonyl)azetidin-3-yl]oxypyridine-3-carbonitrile (PubChem CID 122248820) has the molecular formula C21H19N5O3 and a molecular weight of 389.42 g/mol. Its IUPAC name is 6-[1-(1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carbonyl)azetidin-3-yl]oxypyridine-3-carbonitrile.

Molecular Properties

Compound Name6-[1-(1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carbonyl)azetidin-3-yl]oxypyridine-3-carbonitrile
PubChem CID122248820
Molecular FormulaC21H19N5O3
Molecular Weight389.42 g/mol
Exact Mass389.15
IUPAC Name6-[1-(1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carbonyl)azetidin-3-yl]oxypyridine-3-carbonitrile
SMILESCCn1cc(C(=O)N2CC(Oc3ccc(C#N)cn3)C2)c(=O)c2ccc(C)nc21
InChIInChI=1S/C21H19N5O3/c1-3-25-12-17(19(27)16-6-4-13(2)24-20(16)25)21(28)26-10-15(11-26)29-18-7-5-14(8-22)9-23-18/h4-7,9,12,15H,3,10-11H2,1-2H3
InChIKeyHKVOVYHFMVCAGA-UHFFFAOYSA-N
XLogP1.89
TPSA101.11 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.42
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-[1-(1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carbonyl)azetidin-3-yl]oxypyridine-3-carbonitrile?
The IUPAC name of 6-[1-(1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carbonyl)azetidin-3-yl]oxypyridine-3-carbonitrile (CID 122248820) is 6-[1-(1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carbonyl)azetidin-3-yl]oxypyridine-3-carbonitrile.
What is the SMILES notation for 6-[1-(1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carbonyl)azetidin-3-yl]oxypyridine-3-carbonitrile?
The canonical SMILES for 6-[1-(1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carbonyl)azetidin-3-yl]oxypyridine-3-carbonitrile is CCn1cc(C(=O)N2CC(Oc3ccc(C#N)cn3)C2)c(=O)c2ccc(C)nc21.
What is the InChIKey of 6-[1-(1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carbonyl)azetidin-3-yl]oxypyridine-3-carbonitrile?
The InChIKey is HKVOVYHFMVCAGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N5O3/c1-3-25-12-17(19(27)16-6-4-13(2)24-20(16)25)21(28)26-10-15(11-26)29-18-7-5-14(8-22)9-23-18/h4-7,9,12,15H,3,10-11H2,1-2H3.
What are the key properties of 6-[1-(1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carbonyl)azetidin-3-yl]oxypyridine-3-carbonitrile?
6-[1-(1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carbonyl)azetidin-3-yl]oxypyridine-3-carbonitrile has a molecular weight of 389.42 g/mol, XLogP of 1.89, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-(1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carbonyl)azetidin-3-yl]oxypyridine-3-carbonitrile is sourced from PubChem (CID 122248820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).