N-[(2-aminophenyl)methyl]-3-ethyl-N,6-dimethylpyridazine-4-carboxamide

C16H20N4O — CID 104669113

IUPACN-[(2-aminophenyl)methyl]-3-ethyl-N,6-dimethylpyridazine-4-carboxamide
SMILESCCc1nnc(C)cc1C(=O)N(C)Cc1ccccc1N
InChIInChI=1S/C16H20N4O/c1-4-15-13(9-11(2)18-19-15)16(21)20(3)10-12-7-5-6-8-14(12)17/h5-9H,4,10,17H2,1-3H3
InChIKeyLZJQLNLKSWXHET-UHFFFAOYSA-N
MW284.36 g/mol
LogP2.20
Rot. Bonds4

About N-[(2-aminophenyl)methyl]-3-ethyl-N,6-dimethylpyridazine-4-carboxamide

N-[(2-aminophenyl)methyl]-3-ethyl-N,6-dimethylpyridazine-4-carboxamide (PubChem CID 104669113) has the molecular formula C16H20N4O and a molecular weight of 284.36 g/mol. Its IUPAC name is N-[(2-aminophenyl)methyl]-3-ethyl-N,6-dimethylpyridazine-4-carboxamide.

Molecular Properties

Compound NameN-[(2-aminophenyl)methyl]-3-ethyl-N,6-dimethylpyridazine-4-carboxamide
PubChem CID104669113
Molecular FormulaC16H20N4O
Molecular Weight284.36 g/mol
Exact Mass284.16
IUPAC NameN-[(2-aminophenyl)methyl]-3-ethyl-N,6-dimethylpyridazine-4-carboxamide
SMILESCCc1nnc(C)cc1C(=O)N(C)Cc1ccccc1N
InChIInChI=1S/C16H20N4O/c1-4-15-13(9-11(2)18-19-15)16(21)20(3)10-12-7-5-6-8-14(12)17/h5-9H,4,10,17H2,1-3H3
InChIKeyLZJQLNLKSWXHET-UHFFFAOYSA-N
XLogP2.20
TPSA72.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[(2-aminophenyl)methyl]-3-ethyl-N,6-dimethylpyridazine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-ethyl-N-(2-hydroxyethyl)-N,6-dimethylpyridazine-4-carboxamide
CID 104625488
N-[(2-aminophenyl)methyl]-2-chloro-N,4-dimethylbenzamide
CID 106860369
N-[(2-aminophenyl)methyl]-2-fluoro-N,5-dimethylbenzamide
CID 62516508
N-[(2-aminophenyl)methyl]-5-fluoro-N,2-dimethylbenzamide
CID 62057041
N-(2-bromoethyl)-3-ethyl-N,6-dimethylpyridazine-4-carboxamide
CID 104672507
N-[(2-aminophenyl)methyl]-2-bromo-4-chloro-N-methylbenzamide
CID 107986287
3-ethyl-N-[(2-hydroxyphenyl)methyl]-6-methylpyridazine-4-carboxamide
CID 104625709
N-[(2-aminophenyl)methyl]-N,2,6-trimethylbenzamide
CID 107999875
N-[(2-aminophenyl)methyl]-3-ethyl-N,1-dimethylpyrazole-5-carboxamide
CID 66121882
4-amino-N-[(2-chlorophenyl)methyl]-N,6-dimethylpyridine-3-carboxamide
CID 81240859
2-amino-N,5-dimethyl-N-[(2-methylphenyl)methyl]benzamide
CID 62073809
N-[(2-aminophenyl)methyl]-2,6-dichloro-N-methylbenzamide
CID 43458410

Frequently Asked Questions

What is the IUPAC name of N-[(2-aminophenyl)methyl]-3-ethyl-N,6-dimethylpyridazine-4-carboxamide?
The IUPAC name of N-[(2-aminophenyl)methyl]-3-ethyl-N,6-dimethylpyridazine-4-carboxamide (CID 104669113) is N-[(2-aminophenyl)methyl]-3-ethyl-N,6-dimethylpyridazine-4-carboxamide.
What is the SMILES notation for N-[(2-aminophenyl)methyl]-3-ethyl-N,6-dimethylpyridazine-4-carboxamide?
The canonical SMILES for N-[(2-aminophenyl)methyl]-3-ethyl-N,6-dimethylpyridazine-4-carboxamide is CCc1nnc(C)cc1C(=O)N(C)Cc1ccccc1N.
What is the InChIKey of N-[(2-aminophenyl)methyl]-3-ethyl-N,6-dimethylpyridazine-4-carboxamide?
The InChIKey is LZJQLNLKSWXHET-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O/c1-4-15-13(9-11(2)18-19-15)16(21)20(3)10-12-7-5-6-8-14(12)17/h5-9H,4,10,17H2,1-3H3.
What are the key properties of N-[(2-aminophenyl)methyl]-3-ethyl-N,6-dimethylpyridazine-4-carboxamide?
N-[(2-aminophenyl)methyl]-3-ethyl-N,6-dimethylpyridazine-4-carboxamide has a molecular weight of 284.36 g/mol, XLogP of 2.20, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-aminophenyl)methyl]-3-ethyl-N,6-dimethylpyridazine-4-carboxamide is sourced from PubChem (CID 104669113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).