7-methyl-2-oxo-1-prop-2-enyl-4-pyrrolidin-1-yl-1,8-naphthyridine-3-carboxylic acid

C17H19N3O3 — CID 20524649

IUPAC7-methyl-2-oxo-1-prop-2-enyl-4-pyrrolidin-1-yl-1,8-naphthyridine-3-carboxylic acid
SMILESC=CCn1c(=O)c(C(=O)O)c(N2CCCC2)c2ccc(C)nc21
InChIInChI=1S/C17H19N3O3/c1-3-8-20-15-12(7-6-11(2)18-15)14(19-9-4-5-10-19)13(16(20)21)17(22)23/h3,6-7H,1,4-5,8-10H2,2H3,(H,22,23)
InChIKeyYTLUPVVKUUEENN-UHFFFAOYSA-N
MW313.36 g/mol
LogP2.19
Rot. Bonds4

About 7-methyl-2-oxo-1-prop-2-enyl-4-pyrrolidin-1-yl-1,8-naphthyridine-3-carboxylic acid

7-methyl-2-oxo-1-prop-2-enyl-4-pyrrolidin-1-yl-1,8-naphthyridine-3-carboxylic acid (PubChem CID 20524649) has the molecular formula C17H19N3O3 and a molecular weight of 313.36 g/mol. Its IUPAC name is 7-methyl-2-oxo-1-prop-2-enyl-4-pyrrolidin-1-yl-1,8-naphthyridine-3-carboxylic acid.

Molecular Properties

Compound Name7-methyl-2-oxo-1-prop-2-enyl-4-pyrrolidin-1-yl-1,8-naphthyridine-3-carboxylic acid
PubChem CID20524649
Molecular FormulaC17H19N3O3
Molecular Weight313.36 g/mol
Exact Mass313.14
IUPAC Name7-methyl-2-oxo-1-prop-2-enyl-4-pyrrolidin-1-yl-1,8-naphthyridine-3-carboxylic acid
SMILESC=CCn1c(=O)c(C(=O)O)c(N2CCCC2)c2ccc(C)nc21
InChIInChI=1S/C17H19N3O3/c1-3-8-20-15-12(7-6-11(2)18-15)14(19-9-4-5-10-19)13(16(20)21)17(22)23/h3,6-7H,1,4-5,8-10H2,2H3,(H,22,23)
InChIKeyYTLUPVVKUUEENN-UHFFFAOYSA-N
XLogP2.19
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-2-oxo-1-prop-2-enyl-4-pyrrolidin-1-yl-1,8-naphthyridine-3-carboxylic acid?
The IUPAC name of 7-methyl-2-oxo-1-prop-2-enyl-4-pyrrolidin-1-yl-1,8-naphthyridine-3-carboxylic acid (CID 20524649) is 7-methyl-2-oxo-1-prop-2-enyl-4-pyrrolidin-1-yl-1,8-naphthyridine-3-carboxylic acid.
What is the SMILES notation for 7-methyl-2-oxo-1-prop-2-enyl-4-pyrrolidin-1-yl-1,8-naphthyridine-3-carboxylic acid?
The canonical SMILES for 7-methyl-2-oxo-1-prop-2-enyl-4-pyrrolidin-1-yl-1,8-naphthyridine-3-carboxylic acid is C=CCn1c(=O)c(C(=O)O)c(N2CCCC2)c2ccc(C)nc21.
What is the InChIKey of 7-methyl-2-oxo-1-prop-2-enyl-4-pyrrolidin-1-yl-1,8-naphthyridine-3-carboxylic acid?
The InChIKey is YTLUPVVKUUEENN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O3/c1-3-8-20-15-12(7-6-11(2)18-15)14(19-9-4-5-10-19)13(16(20)21)17(22)23/h3,6-7H,1,4-5,8-10H2,2H3,(H,22,23).
What are the key properties of 7-methyl-2-oxo-1-prop-2-enyl-4-pyrrolidin-1-yl-1,8-naphthyridine-3-carboxylic acid?
7-methyl-2-oxo-1-prop-2-enyl-4-pyrrolidin-1-yl-1,8-naphthyridine-3-carboxylic acid has a molecular weight of 313.36 g/mol, XLogP of 2.19, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-2-oxo-1-prop-2-enyl-4-pyrrolidin-1-yl-1,8-naphthyridine-3-carboxylic acid is sourced from PubChem (CID 20524649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).