7-(3-aminopyrrolidin-1-yl)-6-fluoro-4-oxo-1H-1,8-naphthyridine-3-carboxamide

C13H14FN5O2 — CID 10039905

IUPAC7-(3-aminopyrrolidin-1-yl)-6-fluoro-4-oxo-1H-1,8-naphthyridine-3-carboxamide
SMILESNC(=O)c1c[nH]c2nc(N3CCC(N)C3)c(F)cc2c1=O
InChIInChI=1S/C13H14FN5O2/c14-9-3-7-10(20)8(11(16)21)4-17-12(7)18-13(9)19-2-1-6(15)5-19/h3-4,6H,1-2,5,15H2,(H2,16,21)(H,17,18,20)
InChIKeyYKCOFUZEIZWEEH-UHFFFAOYSA-N
MW291.29 g/mol
LogP-0.30
Rot. Bonds2

About 7-(3-aminopyrrolidin-1-yl)-6-fluoro-4-oxo-1H-1,8-naphthyridine-3-carboxamide

7-(3-aminopyrrolidin-1-yl)-6-fluoro-4-oxo-1H-1,8-naphthyridine-3-carboxamide (PubChem CID 10039905) has the molecular formula C13H14FN5O2 and a molecular weight of 291.29 g/mol. Its IUPAC name is 7-(3-aminopyrrolidin-1-yl)-6-fluoro-4-oxo-1H-1,8-naphthyridine-3-carboxamide.

Molecular Properties

Compound Name7-(3-aminopyrrolidin-1-yl)-6-fluoro-4-oxo-1H-1,8-naphthyridine-3-carboxamide
PubChem CID10039905
Molecular FormulaC13H14FN5O2
Molecular Weight291.29 g/mol
Exact Mass291.11
IUPAC Name7-(3-aminopyrrolidin-1-yl)-6-fluoro-4-oxo-1H-1,8-naphthyridine-3-carboxamide
SMILESNC(=O)c1c[nH]c2nc(N3CCC(N)C3)c(F)cc2c1=O
InChIInChI=1S/C13H14FN5O2/c14-9-3-7-10(20)8(11(16)21)4-17-12(7)18-13(9)19-2-1-6(15)5-19/h3-4,6H,1-2,5,15H2,(H2,16,21)(H,17,18,20)
InChIKeyYKCOFUZEIZWEEH-UHFFFAOYSA-N
XLogP-0.30
TPSA118.10 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.29
LogP ≤ 5-0.30
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)-6-fluoro-4-oxo-1H-1,8-naphthyridine-3-carboxamide?
The IUPAC name of 7-(3-aminopyrrolidin-1-yl)-6-fluoro-4-oxo-1H-1,8-naphthyridine-3-carboxamide (CID 10039905) is 7-(3-aminopyrrolidin-1-yl)-6-fluoro-4-oxo-1H-1,8-naphthyridine-3-carboxamide.
What is the SMILES notation for 7-(3-aminopyrrolidin-1-yl)-6-fluoro-4-oxo-1H-1,8-naphthyridine-3-carboxamide?
The canonical SMILES for 7-(3-aminopyrrolidin-1-yl)-6-fluoro-4-oxo-1H-1,8-naphthyridine-3-carboxamide is NC(=O)c1c[nH]c2nc(N3CCC(N)C3)c(F)cc2c1=O.
What is the InChIKey of 7-(3-aminopyrrolidin-1-yl)-6-fluoro-4-oxo-1H-1,8-naphthyridine-3-carboxamide?
The InChIKey is YKCOFUZEIZWEEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FN5O2/c14-9-3-7-10(20)8(11(16)21)4-17-12(7)18-13(9)19-2-1-6(15)5-19/h3-4,6H,1-2,5,15H2,(H2,16,21)(H,17,18,20).
What are the key properties of 7-(3-aminopyrrolidin-1-yl)-6-fluoro-4-oxo-1H-1,8-naphthyridine-3-carboxamide?
7-(3-aminopyrrolidin-1-yl)-6-fluoro-4-oxo-1H-1,8-naphthyridine-3-carboxamide has a molecular weight of 291.29 g/mol, XLogP of -0.30, 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)-6-fluoro-4-oxo-1H-1,8-naphthyridine-3-carboxamide is sourced from PubChem (CID 10039905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).