4-amino-N,N-dimethyl-3-(pyridazin-3-ylmethylamino)benzamide

C14H17N5O — CID 106894872

IUPAC4-amino-N,N-dimethyl-3-(pyridazin-3-ylmethylamino)benzamide
SMILESCN(C)C(=O)c1ccc(N)c(NCc2cccnn2)c1
InChIInChI=1S/C14H17N5O/c1-19(2)14(20)10-5-6-12(15)13(8-10)16-9-11-4-3-7-17-18-11/h3-8,16H,9,15H2,1-2H3
InChIKeyBHZDRSADOQLDCT-UHFFFAOYSA-N
MW271.32 g/mol
LogP1.37
Rot. Bonds4

About 4-amino-N,N-dimethyl-3-(pyridazin-3-ylmethylamino)benzamide

4-amino-N,N-dimethyl-3-(pyridazin-3-ylmethylamino)benzamide (PubChem CID 106894872) has the molecular formula C14H17N5O and a molecular weight of 271.32 g/mol. Its IUPAC name is 4-amino-N,N-dimethyl-3-(pyridazin-3-ylmethylamino)benzamide.

Molecular Properties

Compound Name4-amino-N,N-dimethyl-3-(pyridazin-3-ylmethylamino)benzamide
PubChem CID106894872
Molecular FormulaC14H17N5O
Molecular Weight271.32 g/mol
Exact Mass271.14
IUPAC Name4-amino-N,N-dimethyl-3-(pyridazin-3-ylmethylamino)benzamide
SMILESCN(C)C(=O)c1ccc(N)c(NCc2cccnn2)c1
InChIInChI=1S/C14H17N5O/c1-19(2)14(20)10-5-6-12(15)13(8-10)16-9-11-4-3-7-17-18-11/h3-8,16H,9,15H2,1-2H3
InChIKeyBHZDRSADOQLDCT-UHFFFAOYSA-N
XLogP1.37
TPSA84.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-amino-N,N-dimethyl-3-(1,3-thiazol-2-ylmethylamino)benzamide
CID 63361104
4-amino-N,N-dimethyl-3-(thiophen-2-ylmethylamino)benzamide
CID 63361091
4-amino-3-[(4-chlorophenyl)methylamino]-N,N-dimethylbenzamide
CID 63361074
4-amino-N,N-dimethyl-3-[(5-methylfuran-2-yl)methylamino]benzamide
CID 63358984
2-[2-amino-5-(dimethylcarbamoyl)anilino]ethyl carbamate
CID 83202470
4-amino-N,N-dimethyl-3-[(1-methylpyrazol-4-yl)methylamino]benzamide
CID 63361195
4-amino-N,N-dimethyl-3-(4,4,4-trifluorobutylamino)benzamide
CID 115515375
4-amino-3-[(2,3-dihydroxy-2-methylpropyl)amino]-N,N-dimethylbenzamide
CID 66169478
4-amino-N,N-dimethyl-3-[(1-methylcyclopentyl)methylamino]benzamide
CID 63821309
3-amino-4-bromo-N-(pyridazin-3-ylmethyl)benzamide
CID 106894619
4-nitro-3-(pyridazin-3-ylmethylamino)benzoic acid
CID 106896435
4-amino-3-[[2-(cyclopropylamino)-2-oxoethyl]amino]-N,N-dimethylbenzamide
CID 63360878

Frequently Asked Questions

What is the IUPAC name of 4-amino-N,N-dimethyl-3-(pyridazin-3-ylmethylamino)benzamide?
The IUPAC name of 4-amino-N,N-dimethyl-3-(pyridazin-3-ylmethylamino)benzamide (CID 106894872) is 4-amino-N,N-dimethyl-3-(pyridazin-3-ylmethylamino)benzamide.
What is the SMILES notation for 4-amino-N,N-dimethyl-3-(pyridazin-3-ylmethylamino)benzamide?
The canonical SMILES for 4-amino-N,N-dimethyl-3-(pyridazin-3-ylmethylamino)benzamide is CN(C)C(=O)c1ccc(N)c(NCc2cccnn2)c1.
What is the InChIKey of 4-amino-N,N-dimethyl-3-(pyridazin-3-ylmethylamino)benzamide?
The InChIKey is BHZDRSADOQLDCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5O/c1-19(2)14(20)10-5-6-12(15)13(8-10)16-9-11-4-3-7-17-18-11/h3-8,16H,9,15H2,1-2H3.
What are the key properties of 4-amino-N,N-dimethyl-3-(pyridazin-3-ylmethylamino)benzamide?
4-amino-N,N-dimethyl-3-(pyridazin-3-ylmethylamino)benzamide has a molecular weight of 271.32 g/mol, XLogP of 1.37, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N,N-dimethyl-3-(pyridazin-3-ylmethylamino)benzamide is sourced from PubChem (CID 106894872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).