7-(3-aminopyrrolidin-1-yl)-5,6-dimethyl-4-oxo-1H-1,8-naphthyridine-3-carboxylic acid

C15H18N4O3 — CID 10266901

IUPAC7-(3-aminopyrrolidin-1-yl)-5,6-dimethyl-4-oxo-1H-1,8-naphthyridine-3-carboxylic acid
SMILESCc1c(N2CCC(N)C2)nc2[nH]cc(C(=O)O)c(=O)c2c1C
InChIInChI=1S/C15H18N4O3/c1-7-8(2)14(19-4-3-9(16)6-19)18-13-11(7)12(20)10(5-17-13)15(21)22/h5,9H,3-4,6,16H2,1-2H3,(H,21,22)(H,17,18,20)
InChIKeyIIIGGBHOHZKQRL-UHFFFAOYSA-N
MW302.33 g/mol
LogP0.78
Rot. Bonds2

About 7-(3-aminopyrrolidin-1-yl)-5,6-dimethyl-4-oxo-1H-1,8-naphthyridine-3-carboxylic acid

7-(3-aminopyrrolidin-1-yl)-5,6-dimethyl-4-oxo-1H-1,8-naphthyridine-3-carboxylic acid (PubChem CID 10266901) has the molecular formula C15H18N4O3 and a molecular weight of 302.33 g/mol. Its IUPAC name is 7-(3-aminopyrrolidin-1-yl)-5,6-dimethyl-4-oxo-1H-1,8-naphthyridine-3-carboxylic acid.

Molecular Properties

Compound Name7-(3-aminopyrrolidin-1-yl)-5,6-dimethyl-4-oxo-1H-1,8-naphthyridine-3-carboxylic acid
PubChem CID10266901
Molecular FormulaC15H18N4O3
Molecular Weight302.33 g/mol
Exact Mass302.14
IUPAC Name7-(3-aminopyrrolidin-1-yl)-5,6-dimethyl-4-oxo-1H-1,8-naphthyridine-3-carboxylic acid
SMILESCc1c(N2CCC(N)C2)nc2[nH]cc(C(=O)O)c(=O)c2c1C
InChIInChI=1S/C15H18N4O3/c1-7-8(2)14(19-4-3-9(16)6-19)18-13-11(7)12(20)10(5-17-13)15(21)22/h5,9H,3-4,6,16H2,1-2H3,(H,21,22)(H,17,18,20)
InChIKeyIIIGGBHOHZKQRL-UHFFFAOYSA-N
XLogP0.78
TPSA112.31 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 50.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-(3-aminopyrrolidin-1-yl)-5,6-dimethyl-4-oxo-1H-1,8-naphthyridine-3-carboxylic acid?
The IUPAC name of 7-(3-aminopyrrolidin-1-yl)-5,6-dimethyl-4-oxo-1H-1,8-naphthyridine-3-carboxylic acid (CID 10266901) is 7-(3-aminopyrrolidin-1-yl)-5,6-dimethyl-4-oxo-1H-1,8-naphthyridine-3-carboxylic acid.
What is the SMILES notation for 7-(3-aminopyrrolidin-1-yl)-5,6-dimethyl-4-oxo-1H-1,8-naphthyridine-3-carboxylic acid?
The canonical SMILES for 7-(3-aminopyrrolidin-1-yl)-5,6-dimethyl-4-oxo-1H-1,8-naphthyridine-3-carboxylic acid is Cc1c(N2CCC(N)C2)nc2[nH]cc(C(=O)O)c(=O)c2c1C.
What is the InChIKey of 7-(3-aminopyrrolidin-1-yl)-5,6-dimethyl-4-oxo-1H-1,8-naphthyridine-3-carboxylic acid?
The InChIKey is IIIGGBHOHZKQRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O3/c1-7-8(2)14(19-4-3-9(16)6-19)18-13-11(7)12(20)10(5-17-13)15(21)22/h5,9H,3-4,6,16H2,1-2H3,(H,21,22)(H,17,18,20).
What are the key properties of 7-(3-aminopyrrolidin-1-yl)-5,6-dimethyl-4-oxo-1H-1,8-naphthyridine-3-carboxylic acid?
7-(3-aminopyrrolidin-1-yl)-5,6-dimethyl-4-oxo-1H-1,8-naphthyridine-3-carboxylic acid has a molecular weight of 302.33 g/mol, XLogP of 0.78, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3-aminopyrrolidin-1-yl)-5,6-dimethyl-4-oxo-1H-1,8-naphthyridine-3-carboxylic acid is sourced from PubChem (CID 10266901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).