6-[(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)methyl]pyridine-3-carboxylic acid

C16H23N3O2 — CID 81198910

IUPAC6-[(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)methyl]pyridine-3-carboxylic acid
SMILESCN1CCCC2CN(Cc3ccc(C(=O)O)cn3)CCC21
InChIInChI=1S/C16H23N3O2/c1-18-7-2-3-13-10-19(8-6-15(13)18)11-14-5-4-12(9-17-14)16(20)21/h4-5,9,13,15H,2-3,6-8,10-11H2,1H3,(H,20,21)
InChIKeyZQNPEDNBUBFLCF-UHFFFAOYSA-N
MW289.38 g/mol
LogP1.70
Rot. Bonds3

About 6-[(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)methyl]pyridine-3-carboxylic acid

6-[(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)methyl]pyridine-3-carboxylic acid (PubChem CID 81198910) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is 6-[(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)methyl]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-[(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)methyl]pyridine-3-carboxylic acid
PubChem CID81198910
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC Name6-[(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)methyl]pyridine-3-carboxylic acid
SMILESCN1CCCC2CN(Cc3ccc(C(=O)O)cn3)CCC21
InChIInChI=1S/C16H23N3O2/c1-18-7-2-3-13-10-19(8-6-15(13)18)11-14-5-4-12(9-17-14)16(20)21/h4-5,9,13,15H,2-3,6-8,10-11H2,1H3,(H,20,21)
InChIKeyZQNPEDNBUBFLCF-UHFFFAOYSA-N
XLogP1.70
TPSA56.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-[(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)methyl]pyridine-3-carboxylic acid with MolForge

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Related Compounds

6-[(5-bromo-2-pyridinyl)methyl]-1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine
CID 115722974
N-methyl-1-[6-[(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)methyl]-3-pyridinyl]methanamine
CID 81195517
6-[[3-(methylcarbamoyl)piperidin-1-yl]methyl]pyridine-3-carboxylic acid
CID 103196622
2-[(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)methyl]benzoic acid
CID 81199224
6-[[3-(2-hydroxyethyl)pyrrolidin-1-yl]methyl]pyridine-3-carboxylic acid
CID 114798297
N-methyl-2-[(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)methyl]pyridin-4-amine
CID 81200130
5-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)pentanoic acid
CID 81200094
N-ethyl-2-[(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)methyl]pyridin-4-amine
CID 81200136
2-(5-amino-2-pyridinyl)-1-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)ethanone
CID 107339308
2,2-dimethyl-6-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)hexanoic acid
CID 106714107
5-amino-6-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)pyridine-3-carboxylic acid
CID 81448030
4-[1-[(5-ethyl-2-pyridinyl)methyl]piperidin-3-yl]benzoic acid
CID 72938414

Frequently Asked Questions

What is the IUPAC name of 6-[(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)methyl]pyridine-3-carboxylic acid?
The IUPAC name of 6-[(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)methyl]pyridine-3-carboxylic acid (CID 81198910) is 6-[(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)methyl]pyridine-3-carboxylic acid.
What is the SMILES notation for 6-[(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)methyl]pyridine-3-carboxylic acid?
The canonical SMILES for 6-[(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)methyl]pyridine-3-carboxylic acid is CN1CCCC2CN(Cc3ccc(C(=O)O)cn3)CCC21.
What is the InChIKey of 6-[(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)methyl]pyridine-3-carboxylic acid?
The InChIKey is ZQNPEDNBUBFLCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-18-7-2-3-13-10-19(8-6-15(13)18)11-14-5-4-12(9-17-14)16(20)21/h4-5,9,13,15H,2-3,6-8,10-11H2,1H3,(H,20,21).
What are the key properties of 6-[(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)methyl]pyridine-3-carboxylic acid?
6-[(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)methyl]pyridine-3-carboxylic acid has a molecular weight of 289.38 g/mol, XLogP of 1.70, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)methyl]pyridine-3-carboxylic acid is sourced from PubChem (CID 81198910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).