1-methyl-7-prop-1-ynyl-3,4-dihydro-2H-1,5-naphthyridine

C12H14N2 — CID 58523464

IUPAC1-methyl-7-prop-1-ynyl-3,4-dihydro-2H-1,5-naphthyridine
SMILESCC#Cc1cnc2c(c1)N(C)CCC2
InChIInChI=1S/C12H14N2/c1-3-5-10-8-12-11(13-9-10)6-4-7-14(12)2/h8-9H,4,6-7H2,1-2H3
InChIKeyVSUBHAZZSDBLQH-UHFFFAOYSA-N
MW186.26 g/mol
LogP1.84
Rot. Bonds

About 1-methyl-7-prop-1-ynyl-3,4-dihydro-2H-1,5-naphthyridine

1-methyl-7-prop-1-ynyl-3,4-dihydro-2H-1,5-naphthyridine (PubChem CID 58523464) has the molecular formula C12H14N2 and a molecular weight of 186.26 g/mol. Its IUPAC name is 1-methyl-7-prop-1-ynyl-3,4-dihydro-2H-1,5-naphthyridine.

Molecular Properties

Compound Name1-methyl-7-prop-1-ynyl-3,4-dihydro-2H-1,5-naphthyridine
PubChem CID58523464
Molecular FormulaC12H14N2
Molecular Weight186.26 g/mol
Exact Mass186.12
IUPAC Name1-methyl-7-prop-1-ynyl-3,4-dihydro-2H-1,5-naphthyridine
SMILESCC#Cc1cnc2c(c1)N(C)CCC2
InChIInChI=1S/C12H14N2/c1-3-5-10-8-12-11(13-9-10)6-4-7-14(12)2/h8-9H,4,6-7H2,1-2H3
InChIKeyVSUBHAZZSDBLQH-UHFFFAOYSA-N
XLogP1.84
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.26
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-7-prop-1-ynyl-3,4-dihydro-2H-1,5-naphthyridine?
The IUPAC name of 1-methyl-7-prop-1-ynyl-3,4-dihydro-2H-1,5-naphthyridine (CID 58523464) is 1-methyl-7-prop-1-ynyl-3,4-dihydro-2H-1,5-naphthyridine.
What is the SMILES notation for 1-methyl-7-prop-1-ynyl-3,4-dihydro-2H-1,5-naphthyridine?
The canonical SMILES for 1-methyl-7-prop-1-ynyl-3,4-dihydro-2H-1,5-naphthyridine is CC#Cc1cnc2c(c1)N(C)CCC2.
What is the InChIKey of 1-methyl-7-prop-1-ynyl-3,4-dihydro-2H-1,5-naphthyridine?
The InChIKey is VSUBHAZZSDBLQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2/c1-3-5-10-8-12-11(13-9-10)6-4-7-14(12)2/h8-9H,4,6-7H2,1-2H3.
What are the key properties of 1-methyl-7-prop-1-ynyl-3,4-dihydro-2H-1,5-naphthyridine?
1-methyl-7-prop-1-ynyl-3,4-dihydro-2H-1,5-naphthyridine has a molecular weight of 186.26 g/mol, XLogP of 1.84, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-7-prop-1-ynyl-3,4-dihydro-2H-1,5-naphthyridine is sourced from PubChem (CID 58523464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).