2-oxo-5,6,7,8-tetrahydro-1H-1,6-naphthyridine-3-carboxamide

C9H11N3O2 — CID 91623838

IUPAC2-oxo-5,6,7,8-tetrahydro-1H-1,6-naphthyridine-3-carboxamide
SMILESNC(=O)c1cc2c([nH]c1=O)CCNC2
InChIInChI=1S/C9H11N3O2/c10-8(13)6-3-5-4-11-2-1-7(5)12-9(6)14/h3,11H,1-2,4H2,(H2,10,13)(H,12,14)
InChIKeyFFLJUBLUKUUATF-UHFFFAOYSA-N
MW193.21 g/mol
LogP-0.88
Rot. Bonds1

About 2-oxo-5,6,7,8-tetrahydro-1H-1,6-naphthyridine-3-carboxamide

2-oxo-5,6,7,8-tetrahydro-1H-1,6-naphthyridine-3-carboxamide (PubChem CID 91623838) has the molecular formula C9H11N3O2 and a molecular weight of 193.21 g/mol. Its IUPAC name is 2-oxo-5,6,7,8-tetrahydro-1H-1,6-naphthyridine-3-carboxamide.

Molecular Properties

Compound Name2-oxo-5,6,7,8-tetrahydro-1H-1,6-naphthyridine-3-carboxamide
PubChem CID91623838
Molecular FormulaC9H11N3O2
Molecular Weight193.21 g/mol
Exact Mass193.09
IUPAC Name2-oxo-5,6,7,8-tetrahydro-1H-1,6-naphthyridine-3-carboxamide
SMILESNC(=O)c1cc2c([nH]c1=O)CCNC2
InChIInChI=1S/C9H11N3O2/c10-8(13)6-3-5-4-11-2-1-7(5)12-9(6)14/h3,11H,1-2,4H2,(H2,10,13)(H,12,14)
InChIKeyFFLJUBLUKUUATF-UHFFFAOYSA-N
XLogP-0.88
TPSA87.98 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.21
LogP ≤ 5-0.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-oxo-5,6,7,8-tetrahydro-1H-1,6-naphthyridine-3-carboxamide?
The IUPAC name of 2-oxo-5,6,7,8-tetrahydro-1H-1,6-naphthyridine-3-carboxamide (CID 91623838) is 2-oxo-5,6,7,8-tetrahydro-1H-1,6-naphthyridine-3-carboxamide.
What is the SMILES notation for 2-oxo-5,6,7,8-tetrahydro-1H-1,6-naphthyridine-3-carboxamide?
The canonical SMILES for 2-oxo-5,6,7,8-tetrahydro-1H-1,6-naphthyridine-3-carboxamide is NC(=O)c1cc2c([nH]c1=O)CCNC2.
What is the InChIKey of 2-oxo-5,6,7,8-tetrahydro-1H-1,6-naphthyridine-3-carboxamide?
The InChIKey is FFLJUBLUKUUATF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O2/c10-8(13)6-3-5-4-11-2-1-7(5)12-9(6)14/h3,11H,1-2,4H2,(H2,10,13)(H,12,14).
What are the key properties of 2-oxo-5,6,7,8-tetrahydro-1H-1,6-naphthyridine-3-carboxamide?
2-oxo-5,6,7,8-tetrahydro-1H-1,6-naphthyridine-3-carboxamide has a molecular weight of 193.21 g/mol, XLogP of -0.88, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-5,6,7,8-tetrahydro-1H-1,6-naphthyridine-3-carboxamide is sourced from PubChem (CID 91623838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).