4-amino-3-pyrrolidin-1-yl-1,8-naphthyridine-2-carboxylic acid

C13H14N4O2 — CID 67825697

IUPAC4-amino-3-pyrrolidin-1-yl-1,8-naphthyridine-2-carboxylic acid
SMILESNc1c(N2CCCC2)c(C(=O)O)nc2ncccc12
InChIInChI=1S/C13H14N4O2/c14-9-8-4-3-5-15-12(8)16-10(13(18)19)11(9)17-6-1-2-7-17/h3-5H,1-2,6-7H2,(H,18,19)(H2,14,15,16)
InChIKeyUJISRIAZFALPOA-UHFFFAOYSA-N
MW258.28 g/mol
LogP1.51
Rot. Bonds2

About 4-amino-3-pyrrolidin-1-yl-1,8-naphthyridine-2-carboxylic acid

4-amino-3-pyrrolidin-1-yl-1,8-naphthyridine-2-carboxylic acid (PubChem CID 67825697) has the molecular formula C13H14N4O2 and a molecular weight of 258.28 g/mol. Its IUPAC name is 4-amino-3-pyrrolidin-1-yl-1,8-naphthyridine-2-carboxylic acid.

Molecular Properties

Compound Name4-amino-3-pyrrolidin-1-yl-1,8-naphthyridine-2-carboxylic acid
PubChem CID67825697
Molecular FormulaC13H14N4O2
Molecular Weight258.28 g/mol
Exact Mass258.11
IUPAC Name4-amino-3-pyrrolidin-1-yl-1,8-naphthyridine-2-carboxylic acid
SMILESNc1c(N2CCCC2)c(C(=O)O)nc2ncccc12
InChIInChI=1S/C13H14N4O2/c14-9-8-4-3-5-15-12(8)16-10(13(18)19)11(9)17-6-1-2-7-17/h3-5H,1-2,6-7H2,(H,18,19)(H2,14,15,16)
InChIKeyUJISRIAZFALPOA-UHFFFAOYSA-N
XLogP1.51
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.28
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-amino-3-pyrrolidin-1-yl-1,8-naphthyridine-2-carboxylic acid?
The IUPAC name of 4-amino-3-pyrrolidin-1-yl-1,8-naphthyridine-2-carboxylic acid (CID 67825697) is 4-amino-3-pyrrolidin-1-yl-1,8-naphthyridine-2-carboxylic acid.
What is the SMILES notation for 4-amino-3-pyrrolidin-1-yl-1,8-naphthyridine-2-carboxylic acid?
The canonical SMILES for 4-amino-3-pyrrolidin-1-yl-1,8-naphthyridine-2-carboxylic acid is Nc1c(N2CCCC2)c(C(=O)O)nc2ncccc12.
What is the InChIKey of 4-amino-3-pyrrolidin-1-yl-1,8-naphthyridine-2-carboxylic acid?
The InChIKey is UJISRIAZFALPOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O2/c14-9-8-4-3-5-15-12(8)16-10(13(18)19)11(9)17-6-1-2-7-17/h3-5H,1-2,6-7H2,(H,18,19)(H2,14,15,16).
What are the key properties of 4-amino-3-pyrrolidin-1-yl-1,8-naphthyridine-2-carboxylic acid?
4-amino-3-pyrrolidin-1-yl-1,8-naphthyridine-2-carboxylic acid has a molecular weight of 258.28 g/mol, XLogP of 1.51, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-pyrrolidin-1-yl-1,8-naphthyridine-2-carboxylic acid is sourced from PubChem (CID 67825697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).