1-(2-methoxyethyl)-6-methyl-2-oxo-7,8-dihydro-5H-1,6-naphthyridine-3-carbonitrile

C13H17N3O2 — CID 82521786

IUPAC1-(2-methoxyethyl)-6-methyl-2-oxo-7,8-dihydro-5H-1,6-naphthyridine-3-carbonitrile
SMILESCOCCn1c2c(cc(C#N)c1=O)CN(C)CC2
InChIInChI=1S/C13H17N3O2/c1-15-4-3-12-11(9-15)7-10(8-14)13(17)16(12)5-6-18-2/h7H,3-6,9H2,1-2H3
InChIKeyKXQWHWPKIGPPBM-UHFFFAOYSA-N
MW247.30 g/mol
LogP0.35
Rot. Bonds3

About 1-(2-methoxyethyl)-6-methyl-2-oxo-7,8-dihydro-5H-1,6-naphthyridine-3-carbonitrile

1-(2-methoxyethyl)-6-methyl-2-oxo-7,8-dihydro-5H-1,6-naphthyridine-3-carbonitrile (PubChem CID 82521786) has the molecular formula C13H17N3O2 and a molecular weight of 247.30 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-6-methyl-2-oxo-7,8-dihydro-5H-1,6-naphthyridine-3-carbonitrile.

Molecular Properties

Compound Name1-(2-methoxyethyl)-6-methyl-2-oxo-7,8-dihydro-5H-1,6-naphthyridine-3-carbonitrile
PubChem CID82521786
Molecular FormulaC13H17N3O2
Molecular Weight247.30 g/mol
Exact Mass247.13
IUPAC Name1-(2-methoxyethyl)-6-methyl-2-oxo-7,8-dihydro-5H-1,6-naphthyridine-3-carbonitrile
SMILESCOCCn1c2c(cc(C#N)c1=O)CN(C)CC2
InChIInChI=1S/C13H17N3O2/c1-15-4-3-12-11(9-15)7-10(8-14)13(17)16(12)5-6-18-2/h7H,3-6,9H2,1-2H3
InChIKeyKXQWHWPKIGPPBM-UHFFFAOYSA-N
XLogP0.35
TPSA58.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 50.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethyl)-6-methyl-2-oxo-7,8-dihydro-5H-1,6-naphthyridine-3-carbonitrile?
The IUPAC name of 1-(2-methoxyethyl)-6-methyl-2-oxo-7,8-dihydro-5H-1,6-naphthyridine-3-carbonitrile (CID 82521786) is 1-(2-methoxyethyl)-6-methyl-2-oxo-7,8-dihydro-5H-1,6-naphthyridine-3-carbonitrile.
What is the SMILES notation for 1-(2-methoxyethyl)-6-methyl-2-oxo-7,8-dihydro-5H-1,6-naphthyridine-3-carbonitrile?
The canonical SMILES for 1-(2-methoxyethyl)-6-methyl-2-oxo-7,8-dihydro-5H-1,6-naphthyridine-3-carbonitrile is COCCn1c2c(cc(C#N)c1=O)CN(C)CC2.
What is the InChIKey of 1-(2-methoxyethyl)-6-methyl-2-oxo-7,8-dihydro-5H-1,6-naphthyridine-3-carbonitrile?
The InChIKey is KXQWHWPKIGPPBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2/c1-15-4-3-12-11(9-15)7-10(8-14)13(17)16(12)5-6-18-2/h7H,3-6,9H2,1-2H3.
What are the key properties of 1-(2-methoxyethyl)-6-methyl-2-oxo-7,8-dihydro-5H-1,6-naphthyridine-3-carbonitrile?
1-(2-methoxyethyl)-6-methyl-2-oxo-7,8-dihydro-5H-1,6-naphthyridine-3-carbonitrile has a molecular weight of 247.30 g/mol, XLogP of 0.35, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)-6-methyl-2-oxo-7,8-dihydro-5H-1,6-naphthyridine-3-carbonitrile is sourced from PubChem (CID 82521786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).