8-(oxolan-3-ylamino)-6-(pyridin-2-ylamino)-2H-2,7-naphthyridin-1-one

C17H17N5O2 — CID 58167200

IUPAC8-(oxolan-3-ylamino)-6-(pyridin-2-ylamino)-2H-2,7-naphthyridin-1-one
SMILESO=c1[nH]ccc2cc(Nc3ccccn3)nc(NC3CCOC3)c12
InChIInChI=1S/C17H17N5O2/c23-17-15-11(4-7-19-17)9-14(21-13-3-1-2-6-18-13)22-16(15)20-12-5-8-24-10-12/h1-4,6-7,9,12H,5,8,10H2,(H,19,23)(H2,18,20,21,22)
InChIKeyFDKKKCALVORLPG-UHFFFAOYSA-N
MW323.36 g/mol
LogP2.26
Rot. Bonds4

About 8-(oxolan-3-ylamino)-6-(pyridin-2-ylamino)-2H-2,7-naphthyridin-1-one

8-(oxolan-3-ylamino)-6-(pyridin-2-ylamino)-2H-2,7-naphthyridin-1-one (PubChem CID 58167200) has the molecular formula C17H17N5O2 and a molecular weight of 323.36 g/mol. Its IUPAC name is 8-(oxolan-3-ylamino)-6-(pyridin-2-ylamino)-2H-2,7-naphthyridin-1-one.

Molecular Properties

Compound Name8-(oxolan-3-ylamino)-6-(pyridin-2-ylamino)-2H-2,7-naphthyridin-1-one
PubChem CID58167200
Molecular FormulaC17H17N5O2
Molecular Weight323.36 g/mol
Exact Mass323.14
IUPAC Name8-(oxolan-3-ylamino)-6-(pyridin-2-ylamino)-2H-2,7-naphthyridin-1-one
SMILESO=c1[nH]ccc2cc(Nc3ccccn3)nc(NC3CCOC3)c12
InChIInChI=1S/C17H17N5O2/c23-17-15-11(4-7-19-17)9-14(21-13-3-1-2-6-18-13)22-16(15)20-12-5-8-24-10-12/h1-4,6-7,9,12H,5,8,10H2,(H,19,23)(H2,18,20,21,22)
InChIKeyFDKKKCALVORLPG-UHFFFAOYSA-N
XLogP2.26
TPSA91.93 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.36
LogP ≤ 52.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 8-(oxolan-3-ylamino)-6-(pyridin-2-ylamino)-2H-2,7-naphthyridin-1-one?
The IUPAC name of 8-(oxolan-3-ylamino)-6-(pyridin-2-ylamino)-2H-2,7-naphthyridin-1-one (CID 58167200) is 8-(oxolan-3-ylamino)-6-(pyridin-2-ylamino)-2H-2,7-naphthyridin-1-one.
What is the SMILES notation for 8-(oxolan-3-ylamino)-6-(pyridin-2-ylamino)-2H-2,7-naphthyridin-1-one?
The canonical SMILES for 8-(oxolan-3-ylamino)-6-(pyridin-2-ylamino)-2H-2,7-naphthyridin-1-one is O=c1[nH]ccc2cc(Nc3ccccn3)nc(NC3CCOC3)c12.
What is the InChIKey of 8-(oxolan-3-ylamino)-6-(pyridin-2-ylamino)-2H-2,7-naphthyridin-1-one?
The InChIKey is FDKKKCALVORLPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5O2/c23-17-15-11(4-7-19-17)9-14(21-13-3-1-2-6-18-13)22-16(15)20-12-5-8-24-10-12/h1-4,6-7,9,12H,5,8,10H2,(H,19,23)(H2,18,20,21,22).
What are the key properties of 8-(oxolan-3-ylamino)-6-(pyridin-2-ylamino)-2H-2,7-naphthyridin-1-one?
8-(oxolan-3-ylamino)-6-(pyridin-2-ylamino)-2H-2,7-naphthyridin-1-one has a molecular weight of 323.36 g/mol, XLogP of 2.26, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(oxolan-3-ylamino)-6-(pyridin-2-ylamino)-2H-2,7-naphthyridin-1-one is sourced from PubChem (CID 58167200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).