5-(2,3-dihydro-1H-inden-5-ylamino)-1H-1,8-naphthyridin-2-one

C17H15N3O — CID 175746708

IUPAC5-(2,3-dihydro-1H-inden-5-ylamino)-1H-1,8-naphthyridin-2-one
SMILESO=c1ccc2c(Nc3ccc4c(c3)CCC4)ccnc2[nH]1
InChIInChI=1S/C17H15N3O/c21-16-7-6-14-15(8-9-18-17(14)20-16)19-13-5-4-11-2-1-3-12(11)10-13/h4-10H,1-3H2,(H2,18,19,20,21)
InChIKeyNTSUSTRQSHYSBZ-UHFFFAOYSA-N
MW277.33 g/mol
LogP3.16
Rot. Bonds2

About 5-(2,3-dihydro-1H-inden-5-ylamino)-1H-1,8-naphthyridin-2-one

5-(2,3-dihydro-1H-inden-5-ylamino)-1H-1,8-naphthyridin-2-one (PubChem CID 175746708) has the molecular formula C17H15N3O and a molecular weight of 277.33 g/mol. Its IUPAC name is 5-(2,3-dihydro-1H-inden-5-ylamino)-1H-1,8-naphthyridin-2-one.

Molecular Properties

Compound Name5-(2,3-dihydro-1H-inden-5-ylamino)-1H-1,8-naphthyridin-2-one
PubChem CID175746708
Molecular FormulaC17H15N3O
Molecular Weight277.33 g/mol
Exact Mass277.12
IUPAC Name5-(2,3-dihydro-1H-inden-5-ylamino)-1H-1,8-naphthyridin-2-one
SMILESO=c1ccc2c(Nc3ccc4c(c3)CCC4)ccnc2[nH]1
InChIInChI=1S/C17H15N3O/c21-16-7-6-14-15(8-9-18-17(14)20-16)19-13-5-4-11-2-1-3-12(11)10-13/h4-10H,1-3H2,(H2,18,19,20,21)
InChIKeyNTSUSTRQSHYSBZ-UHFFFAOYSA-N
XLogP3.16
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.33
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(2,3-dihydro-1H-inden-5-ylamino)-1H-1,8-naphthyridin-2-one?
The IUPAC name of 5-(2,3-dihydro-1H-inden-5-ylamino)-1H-1,8-naphthyridin-2-one (CID 175746708) is 5-(2,3-dihydro-1H-inden-5-ylamino)-1H-1,8-naphthyridin-2-one.
What is the SMILES notation for 5-(2,3-dihydro-1H-inden-5-ylamino)-1H-1,8-naphthyridin-2-one?
The canonical SMILES for 5-(2,3-dihydro-1H-inden-5-ylamino)-1H-1,8-naphthyridin-2-one is O=c1ccc2c(Nc3ccc4c(c3)CCC4)ccnc2[nH]1.
What is the InChIKey of 5-(2,3-dihydro-1H-inden-5-ylamino)-1H-1,8-naphthyridin-2-one?
The InChIKey is NTSUSTRQSHYSBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O/c21-16-7-6-14-15(8-9-18-17(14)20-16)19-13-5-4-11-2-1-3-12(11)10-13/h4-10H,1-3H2,(H2,18,19,20,21).
What are the key properties of 5-(2,3-dihydro-1H-inden-5-ylamino)-1H-1,8-naphthyridin-2-one?
5-(2,3-dihydro-1H-inden-5-ylamino)-1H-1,8-naphthyridin-2-one has a molecular weight of 277.33 g/mol, XLogP of 3.16, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,3-dihydro-1H-inden-5-ylamino)-1H-1,8-naphthyridin-2-one is sourced from PubChem (CID 175746708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).