2-[(7-fluoro-1,5-naphthyridin-4-yl)amino]pentanoic acid

C13H14FN3O2 — CID 122060497

IUPAC2-[(7-fluoro-1,5-naphthyridin-4-yl)amino]pentanoic acid
SMILESCCCC(Nc1ccnc2cc(F)cnc12)C(=O)O
InChIInChI=1S/C13H14FN3O2/c1-2-3-10(13(18)19)17-9-4-5-15-11-6-8(14)7-16-12(9)11/h4-7,10H,2-3H2,1H3,(H,15,17)(H,18,19)
InChIKeyZQGMNXNGOIIMTF-UHFFFAOYSA-N
MW263.27 g/mol
LogP2.43
Rot. Bonds5

About 2-[(7-fluoro-1,5-naphthyridin-4-yl)amino]pentanoic acid

2-[(7-fluoro-1,5-naphthyridin-4-yl)amino]pentanoic acid (PubChem CID 122060497) has the molecular formula C13H14FN3O2 and a molecular weight of 263.27 g/mol. Its IUPAC name is 2-[(7-fluoro-1,5-naphthyridin-4-yl)amino]pentanoic acid.

Molecular Properties

Compound Name2-[(7-fluoro-1,5-naphthyridin-4-yl)amino]pentanoic acid
PubChem CID122060497
Molecular FormulaC13H14FN3O2
Molecular Weight263.27 g/mol
Exact Mass263.11
IUPAC Name2-[(7-fluoro-1,5-naphthyridin-4-yl)amino]pentanoic acid
SMILESCCCC(Nc1ccnc2cc(F)cnc12)C(=O)O
InChIInChI=1S/C13H14FN3O2/c1-2-3-10(13(18)19)17-9-4-5-15-11-6-8(14)7-16-12(9)11/h4-7,10H,2-3H2,1H3,(H,15,17)(H,18,19)
InChIKeyZQGMNXNGOIIMTF-UHFFFAOYSA-N
XLogP2.43
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.27
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(5-fluoropyrimidin-2-yl)amino]pentanoic acid
CID 104605858
(2S)-2-[(7-fluoroquinolin-4-yl)amino]-4-methylpentanoic acid
CID 122050192
2-(5-fluoro-2-nitroanilino)pentanoic acid
CID 62373870
2-[(6,7-difluoroquinoxalin-2-yl)amino]pentanoic acid
CID 122060632
(2S)-2-[(2-chloro-5-fluoropyridine-3-carbonyl)amino]pentanoic acid
CID 114037285
2-[(2-chloro-5-fluoropyridine-3-carbonyl)amino]pentanoic acid
CID 114036486
2-[(4-carbamoyl-2-pyridinyl)amino]pentanoic acid
CID 43631313
2-[1-(5-fluoro-2-pyridinyl)propylamino]pentanoic acid
CID 112586667
2-[(2-methylquinolin-4-yl)amino]pentanoic acid
CID 43631351
(2S)-2-(2-methoxyanilino)pentanoic acid
CID 40788460
2-[(2-propan-2-yloxy-3-pyridinyl)amino]pentanoic acid
CID 83041938
2-(2-phenylanilino)pentanoic acid
CID 83037413

Frequently Asked Questions

What is the IUPAC name of 2-[(7-fluoro-1,5-naphthyridin-4-yl)amino]pentanoic acid?
The IUPAC name of 2-[(7-fluoro-1,5-naphthyridin-4-yl)amino]pentanoic acid (CID 122060497) is 2-[(7-fluoro-1,5-naphthyridin-4-yl)amino]pentanoic acid.
What is the SMILES notation for 2-[(7-fluoro-1,5-naphthyridin-4-yl)amino]pentanoic acid?
The canonical SMILES for 2-[(7-fluoro-1,5-naphthyridin-4-yl)amino]pentanoic acid is CCCC(Nc1ccnc2cc(F)cnc12)C(=O)O.
What is the InChIKey of 2-[(7-fluoro-1,5-naphthyridin-4-yl)amino]pentanoic acid?
The InChIKey is ZQGMNXNGOIIMTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FN3O2/c1-2-3-10(13(18)19)17-9-4-5-15-11-6-8(14)7-16-12(9)11/h4-7,10H,2-3H2,1H3,(H,15,17)(H,18,19).
What are the key properties of 2-[(7-fluoro-1,5-naphthyridin-4-yl)amino]pentanoic acid?
2-[(7-fluoro-1,5-naphthyridin-4-yl)amino]pentanoic acid has a molecular weight of 263.27 g/mol, XLogP of 2.43, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(7-fluoro-1,5-naphthyridin-4-yl)amino]pentanoic acid is sourced from PubChem (CID 122060497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).