2-carbamoyl-6-methyl-7,8-dihydro-5H-1,6-naphthyridine-3-carboxylic acid

C11H13N3O3 — CID 117274635

IUPAC2-carbamoyl-6-methyl-7,8-dihydro-5H-1,6-naphthyridine-3-carboxylic acid
SMILESCN1CCc2nc(C(N)=O)c(C(=O)O)cc2C1
InChIInChI=1S/C11H13N3O3/c1-14-3-2-8-6(5-14)4-7(11(16)17)9(13-8)10(12)15/h4H,2-3,5H2,1H3,(H2,12,15)(H,16,17)
InChIKeyROCYRSRDQHNZRN-UHFFFAOYSA-N
MW235.24 g/mol
LogP-0.13
Rot. Bonds2

About 2-carbamoyl-6-methyl-7,8-dihydro-5H-1,6-naphthyridine-3-carboxylic acid

2-carbamoyl-6-methyl-7,8-dihydro-5H-1,6-naphthyridine-3-carboxylic acid (PubChem CID 117274635) has the molecular formula C11H13N3O3 and a molecular weight of 235.24 g/mol. Its IUPAC name is 2-carbamoyl-6-methyl-7,8-dihydro-5H-1,6-naphthyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-carbamoyl-6-methyl-7,8-dihydro-5H-1,6-naphthyridine-3-carboxylic acid
PubChem CID117274635
Molecular FormulaC11H13N3O3
Molecular Weight235.24 g/mol
Exact Mass235.10
IUPAC Name2-carbamoyl-6-methyl-7,8-dihydro-5H-1,6-naphthyridine-3-carboxylic acid
SMILESCN1CCc2nc(C(N)=O)c(C(=O)O)cc2C1
InChIInChI=1S/C11H13N3O3/c1-14-3-2-8-6(5-14)4-7(11(16)17)9(13-8)10(12)15/h4H,2-3,5H2,1H3,(H2,12,15)(H,16,17)
InChIKeyROCYRSRDQHNZRN-UHFFFAOYSA-N
XLogP-0.13
TPSA96.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.24
LogP ≤ 5-0.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-carbamoyl-6-methyl-7,8-dihydro-5H-1,6-naphthyridine-3-carboxylic acid?
The IUPAC name of 2-carbamoyl-6-methyl-7,8-dihydro-5H-1,6-naphthyridine-3-carboxylic acid (CID 117274635) is 2-carbamoyl-6-methyl-7,8-dihydro-5H-1,6-naphthyridine-3-carboxylic acid.
What is the SMILES notation for 2-carbamoyl-6-methyl-7,8-dihydro-5H-1,6-naphthyridine-3-carboxylic acid?
The canonical SMILES for 2-carbamoyl-6-methyl-7,8-dihydro-5H-1,6-naphthyridine-3-carboxylic acid is CN1CCc2nc(C(N)=O)c(C(=O)O)cc2C1.
What is the InChIKey of 2-carbamoyl-6-methyl-7,8-dihydro-5H-1,6-naphthyridine-3-carboxylic acid?
The InChIKey is ROCYRSRDQHNZRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O3/c1-14-3-2-8-6(5-14)4-7(11(16)17)9(13-8)10(12)15/h4H,2-3,5H2,1H3,(H2,12,15)(H,16,17).
What are the key properties of 2-carbamoyl-6-methyl-7,8-dihydro-5H-1,6-naphthyridine-3-carboxylic acid?
2-carbamoyl-6-methyl-7,8-dihydro-5H-1,6-naphthyridine-3-carboxylic acid has a molecular weight of 235.24 g/mol, XLogP of -0.13, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-carbamoyl-6-methyl-7,8-dihydro-5H-1,6-naphthyridine-3-carboxylic acid is sourced from PubChem (CID 117274635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).