1-(7-cyano-1,6-naphthyridin-2-yl)-3-azabicyclo[4.1.0]heptane-3-carboxylic acid

C16H14N4O2 — CID 166682168

IUPAC1-(7-cyano-1,6-naphthyridin-2-yl)-3-azabicyclo[4.1.0]heptane-3-carboxylic acid
SMILESN#Cc1cc2nc(C34CC3CCN(C(=O)O)C4)ccc2cn1
InChIInChI=1S/C16H14N4O2/c17-7-12-5-13-10(8-18-12)1-2-14(19-13)16-6-11(16)3-4-20(9-16)15(21)22/h1-2,5,8,11H,3-4,6,9H2,(H,21,22)
InChIKeyGLBIMFHNZOSQFR-UHFFFAOYSA-N
MW294.31 g/mol
LogP2.14
Rot. Bonds1

About 1-(7-cyano-1,6-naphthyridin-2-yl)-3-azabicyclo[4.1.0]heptane-3-carboxylic acid

1-(7-cyano-1,6-naphthyridin-2-yl)-3-azabicyclo[4.1.0]heptane-3-carboxylic acid (PubChem CID 166682168) has the molecular formula C16H14N4O2 and a molecular weight of 294.31 g/mol. Its IUPAC name is 1-(7-cyano-1,6-naphthyridin-2-yl)-3-azabicyclo[4.1.0]heptane-3-carboxylic acid.

Molecular Properties

Compound Name1-(7-cyano-1,6-naphthyridin-2-yl)-3-azabicyclo[4.1.0]heptane-3-carboxylic acid
PubChem CID166682168
Molecular FormulaC16H14N4O2
Molecular Weight294.31 g/mol
Exact Mass294.11
IUPAC Name1-(7-cyano-1,6-naphthyridin-2-yl)-3-azabicyclo[4.1.0]heptane-3-carboxylic acid
SMILESN#Cc1cc2nc(C34CC3CCN(C(=O)O)C4)ccc2cn1
InChIInChI=1S/C16H14N4O2/c17-7-12-5-13-10(8-18-12)1-2-14(19-13)16-6-11(16)3-4-20(9-16)15(21)22/h1-2,5,8,11H,3-4,6,9H2,(H,21,22)
InChIKeyGLBIMFHNZOSQFR-UHFFFAOYSA-N
XLogP2.14
TPSA90.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(7-cyano-1,6-naphthyridin-2-yl)-3-azabicyclo[4.1.0]heptane-3-carboxylic acid with MolForge

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Related Compounds

2-piperidin-1-yl-1,6-naphthyridine-7-carbonitrile
CID 156819085
2-cyano-5-(3-fluoropyrrolidin-1-yl)pyridine-4-carboxylic acid
CID 118694937
4-[1-(7-chloro-1,6-naphthyridin-2-yl)-1-hydroxyethyl]piperidine-1-carboxylic acid
CID 164580008
4-(5-cyano-2-pyridinyl)-3,3-dimethylpiperazine-1-carboxylic acid
CID 67325965
4-[1-[(5-bromo-3-cyano-2-pyridinyl)oxy]-2-methylpropan-2-yl]-3,3-difluoropiperidine-1-carboxylic acid
CID 175027782
8-[[2-cyano-7-(2-cyclohexylethyl)pyrrolo[2,3-d]pyrimidin-6-yl]methyl]-2,8-diazaspiro[4.5]decane-2-carboxylic acid
CID 154117702
4-(6-cyanoquinolin-4-yl)piperidine-1-carboxylic acid
CID 138687738
(1R,6S)-1-tert-butyl-8-(5,6-dichloro-3-pyridinyl)-3,8-diazabicyclo[4.2.0]octane-3-carboxylic acid
CID 87137565
(6-cyano-3-pyridinyl)sulfanyl azetidine-1-carboxylate
CID 176881727
4-[(4-cyano-2-pyridinyl)oxymethyl]piperidine-1-carboxylic acid
CID 150205283
2-[1-(6-cyano-3-pyridinyl)pyrrolidin-2-yl]acetic acid
CID 115487257
6-cyano-4-methylpyridine-3-carboxylic acid
CID 130894827

Frequently Asked Questions

What is the IUPAC name of 1-(7-cyano-1,6-naphthyridin-2-yl)-3-azabicyclo[4.1.0]heptane-3-carboxylic acid?
The IUPAC name of 1-(7-cyano-1,6-naphthyridin-2-yl)-3-azabicyclo[4.1.0]heptane-3-carboxylic acid (CID 166682168) is 1-(7-cyano-1,6-naphthyridin-2-yl)-3-azabicyclo[4.1.0]heptane-3-carboxylic acid.
What is the SMILES notation for 1-(7-cyano-1,6-naphthyridin-2-yl)-3-azabicyclo[4.1.0]heptane-3-carboxylic acid?
The canonical SMILES for 1-(7-cyano-1,6-naphthyridin-2-yl)-3-azabicyclo[4.1.0]heptane-3-carboxylic acid is N#Cc1cc2nc(C34CC3CCN(C(=O)O)C4)ccc2cn1.
What is the InChIKey of 1-(7-cyano-1,6-naphthyridin-2-yl)-3-azabicyclo[4.1.0]heptane-3-carboxylic acid?
The InChIKey is GLBIMFHNZOSQFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4O2/c17-7-12-5-13-10(8-18-12)1-2-14(19-13)16-6-11(16)3-4-20(9-16)15(21)22/h1-2,5,8,11H,3-4,6,9H2,(H,21,22).
What are the key properties of 1-(7-cyano-1,6-naphthyridin-2-yl)-3-azabicyclo[4.1.0]heptane-3-carboxylic acid?
1-(7-cyano-1,6-naphthyridin-2-yl)-3-azabicyclo[4.1.0]heptane-3-carboxylic acid has a molecular weight of 294.31 g/mol, XLogP of 2.14, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-cyano-1,6-naphthyridin-2-yl)-3-azabicyclo[4.1.0]heptane-3-carboxylic acid is sourced from PubChem (CID 166682168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).