3-[(7-chloro-1,6-naphthyridin-5-yl)amino]-8-azabicyclo[3.2.1]octane-8-carboxylic acid

C16H17ClN4O2 — CID 166769956

IUPAC3-[(7-chloro-1,6-naphthyridin-5-yl)amino]-8-azabicyclo[3.2.1]octane-8-carboxylic acid
SMILESO=C(O)N1C2CCC1CC(Nc1nc(Cl)cc3ncccc13)C2
InChIInChI=1S/C16H17ClN4O2/c17-14-8-13-12(2-1-5-18-13)15(20-14)19-9-6-10-3-4-11(7-9)21(10)16(22)23/h1-2,5,8-11H,3-4,6-7H2,(H,19,20)(H,22,23)
InChIKeyGTBXOJULUOYPFZ-UHFFFAOYSA-N
MW332.79 g/mol
LogP3.37
Rot. Bonds2

About 3-[(7-chloro-1,6-naphthyridin-5-yl)amino]-8-azabicyclo[3.2.1]octane-8-carboxylic acid

3-[(7-chloro-1,6-naphthyridin-5-yl)amino]-8-azabicyclo[3.2.1]octane-8-carboxylic acid (PubChem CID 166769956) has the molecular formula C16H17ClN4O2 and a molecular weight of 332.79 g/mol. Its IUPAC name is 3-[(7-chloro-1,6-naphthyridin-5-yl)amino]-8-azabicyclo[3.2.1]octane-8-carboxylic acid.

Molecular Properties

Compound Name3-[(7-chloro-1,6-naphthyridin-5-yl)amino]-8-azabicyclo[3.2.1]octane-8-carboxylic acid
PubChem CID166769956
Molecular FormulaC16H17ClN4O2
Molecular Weight332.79 g/mol
Exact Mass332.10
IUPAC Name3-[(7-chloro-1,6-naphthyridin-5-yl)amino]-8-azabicyclo[3.2.1]octane-8-carboxylic acid
SMILESO=C(O)N1C2CCC1CC(Nc1nc(Cl)cc3ncccc13)C2
InChIInChI=1S/C16H17ClN4O2/c17-14-8-13-12(2-1-5-18-13)15(20-14)19-9-6-10-3-4-11(7-9)21(10)16(22)23/h1-2,5,8-11H,3-4,6-7H2,(H,19,20)(H,22,23)
InChIKeyGTBXOJULUOYPFZ-UHFFFAOYSA-N
XLogP3.37
TPSA78.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.79
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 3-[(7-chloro-1,6-naphthyridin-5-yl)amino]-8-azabicyclo[3.2.1]octane-8-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3aR,6aS)-5-[(7-chloro-1,6-naphthyridin-5-yl)amino]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxylic acid
CID 175054495
3-[4-[(7-chloro-1,6-naphthyridin-5-yl)amino]-2-ethyl-6-methylpiperidin-1-yl]propanenitrile
CID 146645217
1-[3-[[7-[[5-(hydroxymethyl)-1,3-thiazol-2-yl]amino]-1,6-naphthyridin-5-yl]amino]-8-azabicyclo[3.2.1]octan-8-yl]-2-piperidin-1-ylethanone
CID 166770011
2-ethylsulfanyl-1-[(1R,5S)-3-[[7-[(5-methyl-1H-pyrazol-3-yl)amino]-1,6-naphthyridin-5-yl]amino]-9-azabicyclo[3.3.1]nonan-9-yl]propan-1-one
CID 156600998
7-N-(5-methyl-1H-pyrazol-3-yl)-5-N-[(1R,5S)-8-(4H-pyrazol-4-ylsulfonyl)-8-azabicyclo[3.2.1]octan-3-yl]-1,6-naphthyridine-5,7-diamine
CID 167341951
ethyl (1S,5S)-3-[(4-chlorophthalazin-1-yl)amino]-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 58188852
tert-butyl (1S,5R)-3-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]amino]-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 146644843
3-[(1R,5S)-3-[[7-(1H-indazol-3-ylamino)-1,6-naphthyridin-5-yl]amino]-8-azabicyclo[3.2.1]octan-8-yl]propanenitrile
CID 146644770
7-chloro-5-[[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]amino]-1H-1,6-naphthyridin-2-one
CID 130307404
3-[3-[[7-[(2-methyl-1H-imidazol-5-yl)amino]-1,6-naphthyridin-5-yl]amino]-8-azabicyclo[3.2.1]octan-8-yl]propanenitrile
CID 166769974
7-N-(5-methyl-1H-pyrazol-3-yl)-5-N-[(5S)-8-(piperidin-4-ylmethyl)-8-azabicyclo[3.2.1]octan-3-yl]-1,6-naphthyridine-5,7-diamine
CID 167341844
3-chloro-N-(1-pyrimidin-2-ylpiperidin-3-yl)isoquinolin-1-amine
CID 154878532

Frequently Asked Questions

What is the IUPAC name of 3-[(7-chloro-1,6-naphthyridin-5-yl)amino]-8-azabicyclo[3.2.1]octane-8-carboxylic acid?
The IUPAC name of 3-[(7-chloro-1,6-naphthyridin-5-yl)amino]-8-azabicyclo[3.2.1]octane-8-carboxylic acid (CID 166769956) is 3-[(7-chloro-1,6-naphthyridin-5-yl)amino]-8-azabicyclo[3.2.1]octane-8-carboxylic acid.
What is the SMILES notation for 3-[(7-chloro-1,6-naphthyridin-5-yl)amino]-8-azabicyclo[3.2.1]octane-8-carboxylic acid?
The canonical SMILES for 3-[(7-chloro-1,6-naphthyridin-5-yl)amino]-8-azabicyclo[3.2.1]octane-8-carboxylic acid is O=C(O)N1C2CCC1CC(Nc1nc(Cl)cc3ncccc13)C2.
What is the InChIKey of 3-[(7-chloro-1,6-naphthyridin-5-yl)amino]-8-azabicyclo[3.2.1]octane-8-carboxylic acid?
The InChIKey is GTBXOJULUOYPFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN4O2/c17-14-8-13-12(2-1-5-18-13)15(20-14)19-9-6-10-3-4-11(7-9)21(10)16(22)23/h1-2,5,8-11H,3-4,6-7H2,(H,19,20)(H,22,23).
What are the key properties of 3-[(7-chloro-1,6-naphthyridin-5-yl)amino]-8-azabicyclo[3.2.1]octane-8-carboxylic acid?
3-[(7-chloro-1,6-naphthyridin-5-yl)amino]-8-azabicyclo[3.2.1]octane-8-carboxylic acid has a molecular weight of 332.79 g/mol, XLogP of 3.37, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(7-chloro-1,6-naphthyridin-5-yl)amino]-8-azabicyclo[3.2.1]octane-8-carboxylic acid is sourced from PubChem (CID 166769956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).