5-(8-carbamoyl-6,7-dihydro-5H-1,8-naphthyridin-3-yl)pyridine-3-carboxylic acid

C15H14N4O3 — CID 86305668

IUPAC5-(8-carbamoyl-6,7-dihydro-5H-1,8-naphthyridin-3-yl)pyridine-3-carboxylic acid
SMILESNC(=O)N1CCCc2cc(-c3cncc(C(=O)O)c3)cnc21
InChIInChI=1S/C15H14N4O3/c16-15(22)19-3-1-2-9-4-11(8-18-13(9)19)10-5-12(14(20)21)7-17-6-10/h4-8H,1-3H2,(H2,16,22)(H,20,21)
InChIKeyJKUNBRGNVFQQDI-UHFFFAOYSA-N
MW298.30 g/mol
LogP1.67
Rot. Bonds2

About 5-(8-carbamoyl-6,7-dihydro-5H-1,8-naphthyridin-3-yl)pyridine-3-carboxylic acid

5-(8-carbamoyl-6,7-dihydro-5H-1,8-naphthyridin-3-yl)pyridine-3-carboxylic acid (PubChem CID 86305668) has the molecular formula C15H14N4O3 and a molecular weight of 298.30 g/mol. Its IUPAC name is 5-(8-carbamoyl-6,7-dihydro-5H-1,8-naphthyridin-3-yl)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-(8-carbamoyl-6,7-dihydro-5H-1,8-naphthyridin-3-yl)pyridine-3-carboxylic acid
PubChem CID86305668
Molecular FormulaC15H14N4O3
Molecular Weight298.30 g/mol
Exact Mass298.11
IUPAC Name5-(8-carbamoyl-6,7-dihydro-5H-1,8-naphthyridin-3-yl)pyridine-3-carboxylic acid
SMILESNC(=O)N1CCCc2cc(-c3cncc(C(=O)O)c3)cnc21
InChIInChI=1S/C15H14N4O3/c16-15(22)19-3-1-2-9-4-11(8-18-13(9)19)10-5-12(14(20)21)7-17-6-10/h4-8H,1-3H2,(H2,16,22)(H,20,21)
InChIKeyJKUNBRGNVFQQDI-UHFFFAOYSA-N
XLogP1.67
TPSA109.41 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.30
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(8-carbamoyl-6,7-dihydro-5H-1,8-naphthyridin-3-yl)pyridine-3-carboxylic acid?
The IUPAC name of 5-(8-carbamoyl-6,7-dihydro-5H-1,8-naphthyridin-3-yl)pyridine-3-carboxylic acid (CID 86305668) is 5-(8-carbamoyl-6,7-dihydro-5H-1,8-naphthyridin-3-yl)pyridine-3-carboxylic acid.
What is the SMILES notation for 5-(8-carbamoyl-6,7-dihydro-5H-1,8-naphthyridin-3-yl)pyridine-3-carboxylic acid?
The canonical SMILES for 5-(8-carbamoyl-6,7-dihydro-5H-1,8-naphthyridin-3-yl)pyridine-3-carboxylic acid is NC(=O)N1CCCc2cc(-c3cncc(C(=O)O)c3)cnc21.
What is the InChIKey of 5-(8-carbamoyl-6,7-dihydro-5H-1,8-naphthyridin-3-yl)pyridine-3-carboxylic acid?
The InChIKey is JKUNBRGNVFQQDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O3/c16-15(22)19-3-1-2-9-4-11(8-18-13(9)19)10-5-12(14(20)21)7-17-6-10/h4-8H,1-3H2,(H2,16,22)(H,20,21).
What are the key properties of 5-(8-carbamoyl-6,7-dihydro-5H-1,8-naphthyridin-3-yl)pyridine-3-carboxylic acid?
5-(8-carbamoyl-6,7-dihydro-5H-1,8-naphthyridin-3-yl)pyridine-3-carboxylic acid has a molecular weight of 298.30 g/mol, XLogP of 1.67, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(8-carbamoyl-6,7-dihydro-5H-1,8-naphthyridin-3-yl)pyridine-3-carboxylic acid is sourced from PubChem (CID 86305668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).