4-[[4-(2-azidopropan-2-yl)-6-chloro-2,7-naphthyridin-1-yl]oxy]butanoic acid

C15H16ClN5O3 — CID 165117429

IUPAC4-[[4-(2-azidopropan-2-yl)-6-chloro-2,7-naphthyridin-1-yl]oxy]butanoic acid
SMILESCC(C)(N=[N+]=[N-])c1cnc(OCCCC(=O)O)c2cnc(Cl)cc12
InChIInChI=1S/C15H16ClN5O3/c1-15(2,20-21-17)11-8-19-14(24-5-3-4-13(22)23)10-7-18-12(16)6-9(10)11/h6-8H,3-5H2,1-2H3,(H,22,23)
InChIKeyWPBDQMDXQXRWCD-UHFFFAOYSA-N
MW349.78 g/mol
LogP4.07
Rot. Bonds7

About 4-[[4-(2-azidopropan-2-yl)-6-chloro-2,7-naphthyridin-1-yl]oxy]butanoic acid

4-[[4-(2-azidopropan-2-yl)-6-chloro-2,7-naphthyridin-1-yl]oxy]butanoic acid (PubChem CID 165117429) has the molecular formula C15H16ClN5O3 and a molecular weight of 349.78 g/mol. Its IUPAC name is 4-[[4-(2-azidopropan-2-yl)-6-chloro-2,7-naphthyridin-1-yl]oxy]butanoic acid.

Molecular Properties

Compound Name4-[[4-(2-azidopropan-2-yl)-6-chloro-2,7-naphthyridin-1-yl]oxy]butanoic acid
PubChem CID165117429
Molecular FormulaC15H16ClN5O3
Molecular Weight349.78 g/mol
Exact Mass349.09
IUPAC Name4-[[4-(2-azidopropan-2-yl)-6-chloro-2,7-naphthyridin-1-yl]oxy]butanoic acid
SMILESCC(C)(N=[N+]=[N-])c1cnc(OCCCC(=O)O)c2cnc(Cl)cc12
InChIInChI=1S/C15H16ClN5O3/c1-15(2,20-21-17)11-8-19-14(24-5-3-4-13(22)23)10-7-18-12(16)6-9(10)11/h6-8H,3-5H2,1-2H3,(H,22,23)
InChIKeyWPBDQMDXQXRWCD-UHFFFAOYSA-N
XLogP4.07
TPSA121.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.78
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Related Compounds

[(2S,3R)-3-[[4-(2-azidopropan-2-yl)-6-chloro-2,7-naphthyridin-1-yl]oxy]-2-methylazetidin-1-yl]-[(1S,2S)-2-fluorocyclopropyl]methanone
CID 165117399
[3-[[4-[(2S)-2-azido-1-methoxypropan-2-yl]-6-chloro-2,7-naphthyridin-1-yl]oxy]azetidin-1-yl]-[(1R,2R)-2-fluorocyclopropyl]methanone
CID 165117747
[3-[[4-(2-azidopropan-2-yl)-6-chloro-2,7-naphthyridin-1-yl]oxy]azetidin-1-yl]-[(1R,2R)-2-fluorocyclopropyl]methanone
CID 165117763
[3-[[4-[(2S)-2-azido-1-methoxypropan-2-yl]-6-chloro-2,7-naphthyridin-1-yl]oxy]azetidin-1-yl]-[(1S,2S)-2-fluorocyclopropyl]methanone
CID 165117864
[3-[[4-(2-azidopropan-2-yl)-6-chloro-2,7-naphthyridin-1-yl]oxy]azetidin-1-yl]-[(1S,2S)-2-fluorocyclopropyl]methanone
CID 165117919
4-(2-Azidopropan-2-yl)-6-chloro-1-[(1-fluorocyclopropyl)methoxy]-2,7-naphthyridine
CID 165380806
4-(2-Azidopropan-2-yl)-6-chloro-1-(3-fluorocyclobutyl)oxy-2,7-naphthyridine
CID 165380882
4-(2-Azidopropan-2-yl)-6-chloro-1-(2,2-difluoropropoxy)-2,7-naphthyridine
CID 165380908
4-(2-Azidopropan-2-yl)-6-chloro-1-(2,2,2-trifluoroethoxy)-2,7-naphthyridine
CID 165380970
4-(2-Azidopropan-2-yl)-6-chloro-1-(1,1,1-trifluoropropan-2-yloxy)-2,7-naphthyridine
CID 165380975
4-(2-Azidopropan-2-yl)-6-chloro-1-(1,1-difluoropropan-2-yloxy)-2,7-naphthyridine
CID 165381006
4-(2-Azidopropan-2-yl)-6-chloro-1-(3,3-difluorocyclobutyl)oxy-2,7-naphthyridine
CID 165381107

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(2-azidopropan-2-yl)-6-chloro-2,7-naphthyridin-1-yl]oxy]butanoic acid?
The IUPAC name of 4-[[4-(2-azidopropan-2-yl)-6-chloro-2,7-naphthyridin-1-yl]oxy]butanoic acid (CID 165117429) is 4-[[4-(2-azidopropan-2-yl)-6-chloro-2,7-naphthyridin-1-yl]oxy]butanoic acid.
What is the SMILES notation for 4-[[4-(2-azidopropan-2-yl)-6-chloro-2,7-naphthyridin-1-yl]oxy]butanoic acid?
The canonical SMILES for 4-[[4-(2-azidopropan-2-yl)-6-chloro-2,7-naphthyridin-1-yl]oxy]butanoic acid is CC(C)(N=[N+]=[N-])c1cnc(OCCCC(=O)O)c2cnc(Cl)cc12.
What is the InChIKey of 4-[[4-(2-azidopropan-2-yl)-6-chloro-2,7-naphthyridin-1-yl]oxy]butanoic acid?
The InChIKey is WPBDQMDXQXRWCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN5O3/c1-15(2,20-21-17)11-8-19-14(24-5-3-4-13(22)23)10-7-18-12(16)6-9(10)11/h6-8H,3-5H2,1-2H3,(H,22,23).
What are the key properties of 4-[[4-(2-azidopropan-2-yl)-6-chloro-2,7-naphthyridin-1-yl]oxy]butanoic acid?
4-[[4-(2-azidopropan-2-yl)-6-chloro-2,7-naphthyridin-1-yl]oxy]butanoic acid has a molecular weight of 349.78 g/mol, XLogP of 4.07, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(2-azidopropan-2-yl)-6-chloro-2,7-naphthyridin-1-yl]oxy]butanoic acid is sourced from PubChem (CID 165117429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).