3-hydroxy-4-methoxy-N-(1-oxo-3,4-dihydro-2H-naphthalen-2-yl)pyridine-2-carboxamide

C17H16N2O4 — CID 18681858

IUPAC3-hydroxy-4-methoxy-N-(1-oxo-3,4-dihydro-2H-naphthalen-2-yl)pyridine-2-carboxamide
SMILESCOc1ccnc(C(=O)NC2CCc3ccccc3C2=O)c1O
InChIInChI=1S/C17H16N2O4/c1-23-13-8-9-18-14(16(13)21)17(22)19-12-7-6-10-4-2-3-5-11(10)15(12)20/h2-5,8-9,12,21H,6-7H2,1H3,(H,19,22)
InChIKeyKUUKYIMPIOJVIX-UHFFFAOYSA-N
MW312.33 g/mol
LogP1.72
Rot. Bonds3

About 3-hydroxy-4-methoxy-N-(1-oxo-3,4-dihydro-2H-naphthalen-2-yl)pyridine-2-carboxamide

3-hydroxy-4-methoxy-N-(1-oxo-3,4-dihydro-2H-naphthalen-2-yl)pyridine-2-carboxamide (PubChem CID 18681858) has the molecular formula C17H16N2O4 and a molecular weight of 312.33 g/mol. Its IUPAC name is 3-hydroxy-4-methoxy-N-(1-oxo-3,4-dihydro-2H-naphthalen-2-yl)pyridine-2-carboxamide.

Molecular Properties

Compound Name3-hydroxy-4-methoxy-N-(1-oxo-3,4-dihydro-2H-naphthalen-2-yl)pyridine-2-carboxamide
PubChem CID18681858
Molecular FormulaC17H16N2O4
Molecular Weight312.33 g/mol
Exact Mass312.11
IUPAC Name3-hydroxy-4-methoxy-N-(1-oxo-3,4-dihydro-2H-naphthalen-2-yl)pyridine-2-carboxamide
SMILESCOc1ccnc(C(=O)NC2CCc3ccccc3C2=O)c1O
InChIInChI=1S/C17H16N2O4/c1-23-13-8-9-18-14(16(13)21)17(22)19-12-7-6-10-4-2-3-5-11(10)15(12)20/h2-5,8-9,12,21H,6-7H2,1H3,(H,19,22)
InChIKeyKUUKYIMPIOJVIX-UHFFFAOYSA-N
XLogP1.72
TPSA88.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.33
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-4-methoxy-N-(1-oxo-3,4-dihydro-2H-naphthalen-2-yl)pyridine-2-carboxamide?
The IUPAC name of 3-hydroxy-4-methoxy-N-(1-oxo-3,4-dihydro-2H-naphthalen-2-yl)pyridine-2-carboxamide (CID 18681858) is 3-hydroxy-4-methoxy-N-(1-oxo-3,4-dihydro-2H-naphthalen-2-yl)pyridine-2-carboxamide.
What is the SMILES notation for 3-hydroxy-4-methoxy-N-(1-oxo-3,4-dihydro-2H-naphthalen-2-yl)pyridine-2-carboxamide?
The canonical SMILES for 3-hydroxy-4-methoxy-N-(1-oxo-3,4-dihydro-2H-naphthalen-2-yl)pyridine-2-carboxamide is COc1ccnc(C(=O)NC2CCc3ccccc3C2=O)c1O.
What is the InChIKey of 3-hydroxy-4-methoxy-N-(1-oxo-3,4-dihydro-2H-naphthalen-2-yl)pyridine-2-carboxamide?
The InChIKey is KUUKYIMPIOJVIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O4/c1-23-13-8-9-18-14(16(13)21)17(22)19-12-7-6-10-4-2-3-5-11(10)15(12)20/h2-5,8-9,12,21H,6-7H2,1H3,(H,19,22).
What are the key properties of 3-hydroxy-4-methoxy-N-(1-oxo-3,4-dihydro-2H-naphthalen-2-yl)pyridine-2-carboxamide?
3-hydroxy-4-methoxy-N-(1-oxo-3,4-dihydro-2H-naphthalen-2-yl)pyridine-2-carboxamide has a molecular weight of 312.33 g/mol, XLogP of 1.72, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-4-methoxy-N-(1-oxo-3,4-dihydro-2H-naphthalen-2-yl)pyridine-2-carboxamide is sourced from PubChem (CID 18681858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).