3-[2-(3-fluorophenyl)ethynyl]-N,N-dimethyl-7,8-dihydro-5H-1,6-naphthyridine-6-carboxamide

C19H18FN3O — CID 71767410

IUPAC3-[2-(3-fluorophenyl)ethynyl]-N,N-dimethyl-7,8-dihydro-5H-1,6-naphthyridine-6-carboxamide
SMILESCN(C)C(=O)N1CCc2ncc(C#Cc3cccc(F)c3)cc2C1
InChIInChI=1S/C19H18FN3O/c1-22(2)19(24)23-9-8-18-16(13-23)10-15(12-21-18)7-6-14-4-3-5-17(20)11-14/h3-5,10-12H,8-9,13H2,1-2H3
InChIKeyRHPGGJCCMXQPSV-UHFFFAOYSA-N
MW323.37 g/mol
LogP2.66
Rot. Bonds

About 3-[2-(3-fluorophenyl)ethynyl]-N,N-dimethyl-7,8-dihydro-5H-1,6-naphthyridine-6-carboxamide

3-[2-(3-fluorophenyl)ethynyl]-N,N-dimethyl-7,8-dihydro-5H-1,6-naphthyridine-6-carboxamide (PubChem CID 71767410) has the molecular formula C19H18FN3O and a molecular weight of 323.37 g/mol. Its IUPAC name is 3-[2-(3-fluorophenyl)ethynyl]-N,N-dimethyl-7,8-dihydro-5H-1,6-naphthyridine-6-carboxamide.

Molecular Properties

Compound Name3-[2-(3-fluorophenyl)ethynyl]-N,N-dimethyl-7,8-dihydro-5H-1,6-naphthyridine-6-carboxamide
PubChem CID71767410
Molecular FormulaC19H18FN3O
Molecular Weight323.37 g/mol
Exact Mass323.14
IUPAC Name3-[2-(3-fluorophenyl)ethynyl]-N,N-dimethyl-7,8-dihydro-5H-1,6-naphthyridine-6-carboxamide
SMILESCN(C)C(=O)N1CCc2ncc(C#Cc3cccc(F)c3)cc2C1
InChIInChI=1S/C19H18FN3O/c1-22(2)19(24)23-9-8-18-16(13-23)10-15(12-21-18)7-6-14-4-3-5-17(20)11-14/h3-5,10-12H,8-9,13H2,1-2H3
InChIKeyRHPGGJCCMXQPSV-UHFFFAOYSA-N
XLogP2.66
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.37
LogP ≤ 52.66
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 3-[2-(3-fluorophenyl)ethynyl]-N,N-dimethyl-7,8-dihydro-5H-1,6-naphthyridine-6-carboxamide?
The IUPAC name of 3-[2-(3-fluorophenyl)ethynyl]-N,N-dimethyl-7,8-dihydro-5H-1,6-naphthyridine-6-carboxamide (CID 71767410) is 3-[2-(3-fluorophenyl)ethynyl]-N,N-dimethyl-7,8-dihydro-5H-1,6-naphthyridine-6-carboxamide.
What is the SMILES notation for 3-[2-(3-fluorophenyl)ethynyl]-N,N-dimethyl-7,8-dihydro-5H-1,6-naphthyridine-6-carboxamide?
The canonical SMILES for 3-[2-(3-fluorophenyl)ethynyl]-N,N-dimethyl-7,8-dihydro-5H-1,6-naphthyridine-6-carboxamide is CN(C)C(=O)N1CCc2ncc(C#Cc3cccc(F)c3)cc2C1.
What is the InChIKey of 3-[2-(3-fluorophenyl)ethynyl]-N,N-dimethyl-7,8-dihydro-5H-1,6-naphthyridine-6-carboxamide?
The InChIKey is RHPGGJCCMXQPSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN3O/c1-22(2)19(24)23-9-8-18-16(13-23)10-15(12-21-18)7-6-14-4-3-5-17(20)11-14/h3-5,10-12H,8-9,13H2,1-2H3.
What are the key properties of 3-[2-(3-fluorophenyl)ethynyl]-N,N-dimethyl-7,8-dihydro-5H-1,6-naphthyridine-6-carboxamide?
3-[2-(3-fluorophenyl)ethynyl]-N,N-dimethyl-7,8-dihydro-5H-1,6-naphthyridine-6-carboxamide has a molecular weight of 323.37 g/mol, XLogP of 2.66, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(3-fluorophenyl)ethynyl]-N,N-dimethyl-7,8-dihydro-5H-1,6-naphthyridine-6-carboxamide is sourced from PubChem (CID 71767410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).