4-(6-carbamoyl-2-pyridinyl)-3,6-dihydro-2H-pyridine-1-carboxylic acid

C12H13N3O3 — CID 121414958

IUPAC4-(6-carbamoyl-2-pyridinyl)-3,6-dihydro-2H-pyridine-1-carboxylic acid
SMILESNC(=O)c1cccc(C2=CCN(C(=O)O)CC2)n1
InChIInChI=1S/C12H13N3O3/c13-11(16)10-3-1-2-9(14-10)8-4-6-15(7-5-8)12(17)18/h1-4H,5-7H2,(H2,13,16)(H,17,18)
InChIKeyNXFWBUBYRJKTRE-UHFFFAOYSA-N
MW247.25 g/mol
LogP0.95
Rot. Bonds2

About 4-(6-carbamoyl-2-pyridinyl)-3,6-dihydro-2H-pyridine-1-carboxylic acid

4-(6-carbamoyl-2-pyridinyl)-3,6-dihydro-2H-pyridine-1-carboxylic acid (PubChem CID 121414958) has the molecular formula C12H13N3O3 and a molecular weight of 247.25 g/mol. Its IUPAC name is 4-(6-carbamoyl-2-pyridinyl)-3,6-dihydro-2H-pyridine-1-carboxylic acid.

Molecular Properties

Compound Name4-(6-carbamoyl-2-pyridinyl)-3,6-dihydro-2H-pyridine-1-carboxylic acid
PubChem CID121414958
Molecular FormulaC12H13N3O3
Molecular Weight247.25 g/mol
Exact Mass247.10
IUPAC Name4-(6-carbamoyl-2-pyridinyl)-3,6-dihydro-2H-pyridine-1-carboxylic acid
SMILESNC(=O)c1cccc(C2=CCN(C(=O)O)CC2)n1
InChIInChI=1S/C12H13N3O3/c13-11(16)10-3-1-2-9(14-10)8-4-6-15(7-5-8)12(17)18/h1-4H,5-7H2,(H2,13,16)(H,17,18)
InChIKeyNXFWBUBYRJKTRE-UHFFFAOYSA-N
XLogP0.95
TPSA96.52 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.25
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(6-carbamoyl-2-pyridinyl)-3,6-dihydro-2H-pyridine-1-carboxylic acid?
The IUPAC name of 4-(6-carbamoyl-2-pyridinyl)-3,6-dihydro-2H-pyridine-1-carboxylic acid (CID 121414958) is 4-(6-carbamoyl-2-pyridinyl)-3,6-dihydro-2H-pyridine-1-carboxylic acid.
What is the SMILES notation for 4-(6-carbamoyl-2-pyridinyl)-3,6-dihydro-2H-pyridine-1-carboxylic acid?
The canonical SMILES for 4-(6-carbamoyl-2-pyridinyl)-3,6-dihydro-2H-pyridine-1-carboxylic acid is NC(=O)c1cccc(C2=CCN(C(=O)O)CC2)n1.
What is the InChIKey of 4-(6-carbamoyl-2-pyridinyl)-3,6-dihydro-2H-pyridine-1-carboxylic acid?
The InChIKey is NXFWBUBYRJKTRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O3/c13-11(16)10-3-1-2-9(14-10)8-4-6-15(7-5-8)12(17)18/h1-4H,5-7H2,(H2,13,16)(H,17,18).
What are the key properties of 4-(6-carbamoyl-2-pyridinyl)-3,6-dihydro-2H-pyridine-1-carboxylic acid?
4-(6-carbamoyl-2-pyridinyl)-3,6-dihydro-2H-pyridine-1-carboxylic acid has a molecular weight of 247.25 g/mol, XLogP of 0.95, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-carbamoyl-2-pyridinyl)-3,6-dihydro-2H-pyridine-1-carboxylic acid is sourced from PubChem (CID 121414958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).