6-(1-cyano-3-phenylmethoxycyclobutyl)-3,4-dihydro-2H-1,5-naphthyridine-1-carboxylic acid

C21H21N3O3 — CID 155093238

IUPAC6-(1-cyano-3-phenylmethoxycyclobutyl)-3,4-dihydro-2H-1,5-naphthyridine-1-carboxylic acid
SMILESN#CC1(c2ccc3c(n2)CCCN3C(=O)O)CC(OCc2ccccc2)C1
InChIInChI=1S/C21H21N3O3/c22-14-21(11-16(12-21)27-13-15-5-2-1-3-6-15)19-9-8-18-17(23-19)7-4-10-24(18)20(25)26/h1-3,5-6,8-9,16H,4,7,10-13H2,(H,25,26)
InChIKeyXHEUTFTXGUDGIP-UHFFFAOYSA-N
MW363.42 g/mol
LogP3.65
Rot. Bonds4

About 6-(1-cyano-3-phenylmethoxycyclobutyl)-3,4-dihydro-2H-1,5-naphthyridine-1-carboxylic acid

6-(1-cyano-3-phenylmethoxycyclobutyl)-3,4-dihydro-2H-1,5-naphthyridine-1-carboxylic acid (PubChem CID 155093238) has the molecular formula C21H21N3O3 and a molecular weight of 363.42 g/mol. Its IUPAC name is 6-(1-cyano-3-phenylmethoxycyclobutyl)-3,4-dihydro-2H-1,5-naphthyridine-1-carboxylic acid.

Molecular Properties

Compound Name6-(1-cyano-3-phenylmethoxycyclobutyl)-3,4-dihydro-2H-1,5-naphthyridine-1-carboxylic acid
PubChem CID155093238
Molecular FormulaC21H21N3O3
Molecular Weight363.42 g/mol
Exact Mass363.16
IUPAC Name6-(1-cyano-3-phenylmethoxycyclobutyl)-3,4-dihydro-2H-1,5-naphthyridine-1-carboxylic acid
SMILESN#CC1(c2ccc3c(n2)CCCN3C(=O)O)CC(OCc2ccccc2)C1
InChIInChI=1S/C21H21N3O3/c22-14-21(11-16(12-21)27-13-15-5-2-1-3-6-15)19-9-8-18-17(23-19)7-4-10-24(18)20(25)26/h1-3,5-6,8-9,16H,4,7,10-13H2,(H,25,26)
InChIKeyXHEUTFTXGUDGIP-UHFFFAOYSA-N
XLogP3.65
TPSA86.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-(1-cyano-3-phenylmethoxycyclobutyl)-3,4-dihydro-2H-1,5-naphthyridine-1-carboxylic acid with MolForge

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Related Compounds

3-phenylmethoxy-1-(5,6,7,8-tetrahydro-1,5-naphthyridin-2-yl)cyclobutane-1-carbonitrile
CID 155093179
tert-butyl 6-(1-isocyano-3-phenylmethoxycyclobutyl)-3,4-dihydro-2H-1,5-naphthyridine-1-carboxylate
CID 159562542
1-[5-(2-methylpyrimidin-4-yl)-7,8-dihydro-6H-1,5-naphthyridin-2-yl]-3-phenylmethoxycyclobutane-1-carbaldehyde
CID 142580119
6-(1-isocyano-3-phenylmethoxycyclobutyl)-1-(2-methylpyrimidin-4-yl)-3,4-dihydro-2H-1,5-naphthyridine
CID 159562541
tert-butyl 5-(1-cyanocyclobutyl)-2,3-dihydropyrrolo[3,2-b]pyridine-1-carboxylate
CID 142580277
6-bromo-3,4-dihydro-2H-1,5-naphthyridine-1-carboxylic acid
CID 155093131
1-cyano-4-phenylmethoxycyclohexane-1-carboxylic acid
CID 174811000
1-hydroxy-3-phenylmethoxycyclobutane-1-carboxylic acid
CID 149153047
3-phenylmethoxycyclobutane-1,1-diol
CID 170382479
cis-(1R,4S)-1,2,2-trimethyl-4-phenylmethoxycyclopentane-1-carboxylic acid
CID 10706618
4-phenylmethoxyazepane-1-carboxylic acid
CID 77320736
3-[[4-(2-methylimidazol-1-yl)phenyl]methoxy]-1-phenylcyclobutane-1-carbonitrile
CID 67577367

Frequently Asked Questions

What is the IUPAC name of 6-(1-cyano-3-phenylmethoxycyclobutyl)-3,4-dihydro-2H-1,5-naphthyridine-1-carboxylic acid?
The IUPAC name of 6-(1-cyano-3-phenylmethoxycyclobutyl)-3,4-dihydro-2H-1,5-naphthyridine-1-carboxylic acid (CID 155093238) is 6-(1-cyano-3-phenylmethoxycyclobutyl)-3,4-dihydro-2H-1,5-naphthyridine-1-carboxylic acid.
What is the SMILES notation for 6-(1-cyano-3-phenylmethoxycyclobutyl)-3,4-dihydro-2H-1,5-naphthyridine-1-carboxylic acid?
The canonical SMILES for 6-(1-cyano-3-phenylmethoxycyclobutyl)-3,4-dihydro-2H-1,5-naphthyridine-1-carboxylic acid is N#CC1(c2ccc3c(n2)CCCN3C(=O)O)CC(OCc2ccccc2)C1.
What is the InChIKey of 6-(1-cyano-3-phenylmethoxycyclobutyl)-3,4-dihydro-2H-1,5-naphthyridine-1-carboxylic acid?
The InChIKey is XHEUTFTXGUDGIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O3/c22-14-21(11-16(12-21)27-13-15-5-2-1-3-6-15)19-9-8-18-17(23-19)7-4-10-24(18)20(25)26/h1-3,5-6,8-9,16H,4,7,10-13H2,(H,25,26).
What are the key properties of 6-(1-cyano-3-phenylmethoxycyclobutyl)-3,4-dihydro-2H-1,5-naphthyridine-1-carboxylic acid?
6-(1-cyano-3-phenylmethoxycyclobutyl)-3,4-dihydro-2H-1,5-naphthyridine-1-carboxylic acid has a molecular weight of 363.42 g/mol, XLogP of 3.65, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-cyano-3-phenylmethoxycyclobutyl)-3,4-dihydro-2H-1,5-naphthyridine-1-carboxylic acid is sourced from PubChem (CID 155093238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).