[2-(cyclopropylmethoxy)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-pyrazin-2-ylmethanone

C17H18N4O2 — CID 91917929

IUPAC[2-(cyclopropylmethoxy)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-pyrazin-2-ylmethanone
SMILESO=C(c1cnccn1)N1CCc2nc(OCC3CC3)ccc2C1
InChIInChI=1S/C17H18N4O2/c22-17(15-9-18-6-7-19-15)21-8-5-14-13(10-21)3-4-16(20-14)23-11-12-1-2-12/h3-4,6-7,9,12H,1-2,5,8,10-11H2
InChIKeyGYKXDKNPMTWFJH-UHFFFAOYSA-N
MW310.36 g/mol
LogP1.86
Rot. Bonds4

About [2-(cyclopropylmethoxy)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-pyrazin-2-ylmethanone

[2-(cyclopropylmethoxy)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-pyrazin-2-ylmethanone (PubChem CID 91917929) has the molecular formula C17H18N4O2 and a molecular weight of 310.36 g/mol. Its IUPAC name is [2-(cyclopropylmethoxy)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-pyrazin-2-ylmethanone.

Molecular Properties

Compound Name[2-(cyclopropylmethoxy)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-pyrazin-2-ylmethanone
PubChem CID91917929
Molecular FormulaC17H18N4O2
Molecular Weight310.36 g/mol
Exact Mass310.14
IUPAC Name[2-(cyclopropylmethoxy)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-pyrazin-2-ylmethanone
SMILESO=C(c1cnccn1)N1CCc2nc(OCC3CC3)ccc2C1
InChIInChI=1S/C17H18N4O2/c22-17(15-9-18-6-7-19-15)21-8-5-14-13(10-21)3-4-16(20-14)23-11-12-1-2-12/h3-4,6-7,9,12H,1-2,5,8,10-11H2
InChIKeyGYKXDKNPMTWFJH-UHFFFAOYSA-N
XLogP1.86
TPSA68.21 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.36
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-(cyclopropylmethoxy)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-pyrazin-2-ylmethanone?
The IUPAC name of [2-(cyclopropylmethoxy)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-pyrazin-2-ylmethanone (CID 91917929) is [2-(cyclopropylmethoxy)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-pyrazin-2-ylmethanone.
What is the SMILES notation for [2-(cyclopropylmethoxy)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-pyrazin-2-ylmethanone?
The canonical SMILES for [2-(cyclopropylmethoxy)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-pyrazin-2-ylmethanone is O=C(c1cnccn1)N1CCc2nc(OCC3CC3)ccc2C1.
What is the InChIKey of [2-(cyclopropylmethoxy)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-pyrazin-2-ylmethanone?
The InChIKey is GYKXDKNPMTWFJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O2/c22-17(15-9-18-6-7-19-15)21-8-5-14-13(10-21)3-4-16(20-14)23-11-12-1-2-12/h3-4,6-7,9,12H,1-2,5,8,10-11H2.
What are the key properties of [2-(cyclopropylmethoxy)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-pyrazin-2-ylmethanone?
[2-(cyclopropylmethoxy)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-pyrazin-2-ylmethanone has a molecular weight of 310.36 g/mol, XLogP of 1.86, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(cyclopropylmethoxy)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-pyrazin-2-ylmethanone is sourced from PubChem (CID 91917929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).