N'-[5-(2,3-dimethylphenyl)-1,2,3,4-tetrahydro-1,6-naphthyridin-7-yl]ethanimidamide

C18H22N4 — CID 155513923

IUPACN'-[5-(2,3-dimethylphenyl)-1,2,3,4-tetrahydro-1,6-naphthyridin-7-yl]ethanimidamide
SMILESC/C(N)=N\c1cc2c(c(-c3cccc(C)c3C)n1)CCCN2
InChIInChI=1S/C18H22N4/c1-11-6-4-7-14(12(11)2)18-15-8-5-9-20-16(15)10-17(22-18)21-13(3)19/h4,6-7,10,20H,5,8-9H2,1-3H3,(H2,19,21,22)
InChIKeyVDURWVXUFZBFJR-UHFFFAOYSA-N
MW294.40 g/mol
LogP3.73
Rot. Bonds2

About N'-[5-(2,3-dimethylphenyl)-1,2,3,4-tetrahydro-1,6-naphthyridin-7-yl]ethanimidamide

N'-[5-(2,3-dimethylphenyl)-1,2,3,4-tetrahydro-1,6-naphthyridin-7-yl]ethanimidamide (PubChem CID 155513923) has the molecular formula C18H22N4 and a molecular weight of 294.40 g/mol. Its IUPAC name is N'-[5-(2,3-dimethylphenyl)-1,2,3,4-tetrahydro-1,6-naphthyridin-7-yl]ethanimidamide.

Molecular Properties

Compound NameN'-[5-(2,3-dimethylphenyl)-1,2,3,4-tetrahydro-1,6-naphthyridin-7-yl]ethanimidamide
PubChem CID155513923
Molecular FormulaC18H22N4
Molecular Weight294.40 g/mol
Exact Mass294.18
IUPAC NameN'-[5-(2,3-dimethylphenyl)-1,2,3,4-tetrahydro-1,6-naphthyridin-7-yl]ethanimidamide
SMILESC/C(N)=N\c1cc2c(c(-c3cccc(C)c3C)n1)CCCN2
InChIInChI=1S/C18H22N4/c1-11-6-4-7-14(12(11)2)18-15-8-5-9-20-16(15)10-17(22-18)21-13(3)19/h4,6-7,10,20H,5,8-9H2,1-3H3,(H2,19,21,22)
InChIKeyVDURWVXUFZBFJR-UHFFFAOYSA-N
XLogP3.73
TPSA63.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-[5-(2,3-dimethylphenyl)-1,2,3,4-tetrahydro-1,6-naphthyridin-7-yl]ethanimidamide?
The IUPAC name of N'-[5-(2,3-dimethylphenyl)-1,2,3,4-tetrahydro-1,6-naphthyridin-7-yl]ethanimidamide (CID 155513923) is N'-[5-(2,3-dimethylphenyl)-1,2,3,4-tetrahydro-1,6-naphthyridin-7-yl]ethanimidamide.
What is the SMILES notation for N'-[5-(2,3-dimethylphenyl)-1,2,3,4-tetrahydro-1,6-naphthyridin-7-yl]ethanimidamide?
The canonical SMILES for N'-[5-(2,3-dimethylphenyl)-1,2,3,4-tetrahydro-1,6-naphthyridin-7-yl]ethanimidamide is C/C(N)=N\c1cc2c(c(-c3cccc(C)c3C)n1)CCCN2.
What is the InChIKey of N'-[5-(2,3-dimethylphenyl)-1,2,3,4-tetrahydro-1,6-naphthyridin-7-yl]ethanimidamide?
The InChIKey is VDURWVXUFZBFJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4/c1-11-6-4-7-14(12(11)2)18-15-8-5-9-20-16(15)10-17(22-18)21-13(3)19/h4,6-7,10,20H,5,8-9H2,1-3H3,(H2,19,21,22).
What are the key properties of N'-[5-(2,3-dimethylphenyl)-1,2,3,4-tetrahydro-1,6-naphthyridin-7-yl]ethanimidamide?
N'-[5-(2,3-dimethylphenyl)-1,2,3,4-tetrahydro-1,6-naphthyridin-7-yl]ethanimidamide has a molecular weight of 294.40 g/mol, XLogP of 3.73, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[5-(2,3-dimethylphenyl)-1,2,3,4-tetrahydro-1,6-naphthyridin-7-yl]ethanimidamide is sourced from PubChem (CID 155513923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).