N,N-dimethyl-3-(2-phenylethynyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carboxamide

C19H19N3O — CID 71767274

IUPACN,N-dimethyl-3-(2-phenylethynyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carboxamide
SMILESCN(C)C(=O)N1CCc2ncc(C#Cc3ccccc3)cc2C1
InChIInChI=1S/C19H19N3O/c1-21(2)19(23)22-11-10-18-17(14-22)12-16(13-20-18)9-8-15-6-4-3-5-7-15/h3-7,12-13H,10-11,14H2,1-2H3
InChIKeyYZJQGAWQWDSRRT-UHFFFAOYSA-N
MW305.38 g/mol
LogP2.52
Rot. Bonds

About N,N-dimethyl-3-(2-phenylethynyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carboxamide

N,N-dimethyl-3-(2-phenylethynyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carboxamide (PubChem CID 71767274) has the molecular formula C19H19N3O and a molecular weight of 305.38 g/mol. Its IUPAC name is N,N-dimethyl-3-(2-phenylethynyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carboxamide.

Molecular Properties

Compound NameN,N-dimethyl-3-(2-phenylethynyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carboxamide
PubChem CID71767274
Molecular FormulaC19H19N3O
Molecular Weight305.38 g/mol
Exact Mass305.15
IUPAC NameN,N-dimethyl-3-(2-phenylethynyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carboxamide
SMILESCN(C)C(=O)N1CCc2ncc(C#Cc3ccccc3)cc2C1
InChIInChI=1S/C19H19N3O/c1-21(2)19(23)22-11-10-18-17(14-22)12-16(13-20-18)9-8-15-6-4-3-5-7-15/h3-7,12-13H,10-11,14H2,1-2H3
InChIKeyYZJQGAWQWDSRRT-UHFFFAOYSA-N
XLogP2.52
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 52.52
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 N,N-dimethyl-3-(2-phenylethynyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carboxamide?
The IUPAC name of N,N-dimethyl-3-(2-phenylethynyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carboxamide (CID 71767274) is N,N-dimethyl-3-(2-phenylethynyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carboxamide.
What is the SMILES notation for N,N-dimethyl-3-(2-phenylethynyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carboxamide?
The canonical SMILES for N,N-dimethyl-3-(2-phenylethynyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carboxamide is CN(C)C(=O)N1CCc2ncc(C#Cc3ccccc3)cc2C1.
What is the InChIKey of N,N-dimethyl-3-(2-phenylethynyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carboxamide?
The InChIKey is YZJQGAWQWDSRRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O/c1-21(2)19(23)22-11-10-18-17(14-22)12-16(13-20-18)9-8-15-6-4-3-5-7-15/h3-7,12-13H,10-11,14H2,1-2H3.
What are the key properties of N,N-dimethyl-3-(2-phenylethynyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carboxamide?
N,N-dimethyl-3-(2-phenylethynyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carboxamide has a molecular weight of 305.38 g/mol, XLogP of 2.52, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-(2-phenylethynyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carboxamide is sourced from PubChem (CID 71767274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).