6-ethynyl-1-methyl-3,4-dihydro-2H-1,8-naphthyridine

C11H12N2 — CID 171109634

IUPAC6-ethynyl-1-methyl-3,4-dihydro-2H-1,8-naphthyridine
SMILESC#Cc1cnc2c(c1)CCCN2C
InChIInChI=1S/C11H12N2/c1-3-9-7-10-5-4-6-13(2)11(10)12-8-9/h1,7-8H,4-6H2,2H3
InChIKeyHPIQRELAOAOKTN-UHFFFAOYSA-N
MW172.23 g/mol
LogP1.45
Rot. Bonds

About 6-ethynyl-1-methyl-3,4-dihydro-2H-1,8-naphthyridine

6-ethynyl-1-methyl-3,4-dihydro-2H-1,8-naphthyridine (PubChem CID 171109634) has the molecular formula C11H12N2 and a molecular weight of 172.23 g/mol. Its IUPAC name is 6-ethynyl-1-methyl-3,4-dihydro-2H-1,8-naphthyridine.

Molecular Properties

Compound Name6-ethynyl-1-methyl-3,4-dihydro-2H-1,8-naphthyridine
PubChem CID171109634
Molecular FormulaC11H12N2
Molecular Weight172.23 g/mol
Exact Mass172.10
IUPAC Name6-ethynyl-1-methyl-3,4-dihydro-2H-1,8-naphthyridine
SMILESC#Cc1cnc2c(c1)CCCN2C
InChIInChI=1S/C11H12N2/c1-3-9-7-10-5-4-6-13(2)11(10)12-8-9/h1,7-8H,4-6H2,2H3
InChIKeyHPIQRELAOAOKTN-UHFFFAOYSA-N
XLogP1.45
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.23
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

1,6-dimethyl-3,4-dihydro-2H-1,8-naphthyridine;ethane
CID 172631854
ethane;1-methyl-3,4-dihydro-2H-1,8-naphthyridine
CID 91237685
6-(4-ethyl-5-fluoro-3-pyridinyl)-1-methyl-3,4-dihydro-2H-1,8-naphthyridine
CID 134592116
N-methyl-2-[5-(8-methyl-6,7-dihydro-5H-1,8-naphthyridin-3-yl)-3-pyridinyl]acetamide
CID 134592147
ethane;bis(1-methyl-3,4-dihydro-2H-1,8-naphthyridine);bis(2-methylpropane)
CID 159492858
1-methyl-7-prop-1-ynyl-3,4-dihydro-2H-1,5-naphthyridine
CID 58523464
6-ethynyl-1-methyl-2,3-dihydroindole
CID 130132980
3-ethynyl-N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]aniline
CID 62072233
5-ethynyl-1-methylpyrrolo[2,3-b]pyridine
CID 130121023
7-tert-butyl-1-methyl-3,4-dihydro-2H-1,8-naphthyridine
CID 20655702
2,7-dimethyl-5,6-dihydropyrrolo[2,3-d]pyrimidine
CID 45080430
1-methyl-6-pyrimidin-5-yl-3,4-dihydro-2H-quinoline
CID 121385714

Frequently Asked Questions

What is the IUPAC name of 6-ethynyl-1-methyl-3,4-dihydro-2H-1,8-naphthyridine?
The IUPAC name of 6-ethynyl-1-methyl-3,4-dihydro-2H-1,8-naphthyridine (CID 171109634) is 6-ethynyl-1-methyl-3,4-dihydro-2H-1,8-naphthyridine.
What is the SMILES notation for 6-ethynyl-1-methyl-3,4-dihydro-2H-1,8-naphthyridine?
The canonical SMILES for 6-ethynyl-1-methyl-3,4-dihydro-2H-1,8-naphthyridine is C#Cc1cnc2c(c1)CCCN2C.
What is the InChIKey of 6-ethynyl-1-methyl-3,4-dihydro-2H-1,8-naphthyridine?
The InChIKey is HPIQRELAOAOKTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2/c1-3-9-7-10-5-4-6-13(2)11(10)12-8-9/h1,7-8H,4-6H2,2H3.
What are the key properties of 6-ethynyl-1-methyl-3,4-dihydro-2H-1,8-naphthyridine?
6-ethynyl-1-methyl-3,4-dihydro-2H-1,8-naphthyridine has a molecular weight of 172.23 g/mol, XLogP of 1.45, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethynyl-1-methyl-3,4-dihydro-2H-1,8-naphthyridine is sourced from PubChem (CID 171109634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).