3-[(4-cyano-5,6-diethylpyridazin-3-yl)amino]-N,N-dimethylpropanamide

C14H21N5O — CID 80510567

IUPAC3-[(4-cyano-5,6-diethylpyridazin-3-yl)amino]-N,N-dimethylpropanamide
SMILESCCc1nnc(NCCC(=O)N(C)C)c(C#N)c1CC
InChIInChI=1S/C14H21N5O/c1-5-10-11(9-15)14(18-17-12(10)6-2)16-8-7-13(20)19(3)4/h5-8H2,1-4H3,(H,16,18)
InChIKeyPTIMKZITRFKVCF-UHFFFAOYSA-N
MW275.36 g/mol
LogP1.36
Rot. Bonds6

About 3-[(4-cyano-5,6-diethylpyridazin-3-yl)amino]-N,N-dimethylpropanamide

3-[(4-cyano-5,6-diethylpyridazin-3-yl)amino]-N,N-dimethylpropanamide (PubChem CID 80510567) has the molecular formula C14H21N5O and a molecular weight of 275.36 g/mol. Its IUPAC name is 3-[(4-cyano-5,6-diethylpyridazin-3-yl)amino]-N,N-dimethylpropanamide.

Molecular Properties

Compound Name3-[(4-cyano-5,6-diethylpyridazin-3-yl)amino]-N,N-dimethylpropanamide
PubChem CID80510567
Molecular FormulaC14H21N5O
Molecular Weight275.36 g/mol
Exact Mass275.17
IUPAC Name3-[(4-cyano-5,6-diethylpyridazin-3-yl)amino]-N,N-dimethylpropanamide
SMILESCCc1nnc(NCCC(=O)N(C)C)c(C#N)c1CC
InChIInChI=1S/C14H21N5O/c1-5-10-11(9-15)14(18-17-12(10)6-2)16-8-7-13(20)19(3)4/h5-8H2,1-4H3,(H,16,18)
InChIKeyPTIMKZITRFKVCF-UHFFFAOYSA-N
XLogP1.36
TPSA81.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.36
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-[(4-cyano-5,6-diethylpyridazin-3-yl)amino]-N,N-dimethylpropanamide 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

2-[(4-cyano-5,6-diethylpyridazin-3-yl)amino]ethylurea
CID 80527134
4-[(4-cyano-5,6-diethylpyridazin-3-yl)amino]butanoic acid
CID 80508019
5-[(4-cyano-5,6-diethylpyridazin-3-yl)amino]pentanamide
CID 106236890
5,6-diethyl-3-(2-methylsulfanylethylamino)pyridazine-4-carbonitrile
CID 80509565
tert-butyl N-[2-[(4-cyano-5,6-diethylpyridazin-3-yl)amino]ethyl]carbamate
CID 103756562
methyl 2-[(4-cyano-5,6-diethylpyridazin-3-yl)amino]acetate
CID 80509437
5,6-diethyl-3-(2-ethylsulfinylethylamino)pyridazine-4-carbonitrile
CID 115693824
2-[(4-cyano-5,6-diethylpyridazin-3-yl)amino]-N-methylacetamide
CID 80509499
3-[(4-cyano-5,6-diethylpyridazin-3-yl)amino]-2,2-dimethylpropanoic acid
CID 115427688
5,6-diethyl-3-(3-methylsulfanylbutylamino)pyridazine-4-carbonitrile
CID 115693754
5,6-diethyl-3-(2-pyrrolidin-1-ylethylamino)pyridazine-4-carbonitrile
CID 80509789
5,6-diethyl-3-(prop-2-ynylamino)pyridazine-4-carbonitrile
CID 80509398

Frequently Asked Questions

What is the IUPAC name of 3-[(4-cyano-5,6-diethylpyridazin-3-yl)amino]-N,N-dimethylpropanamide?
The IUPAC name of 3-[(4-cyano-5,6-diethylpyridazin-3-yl)amino]-N,N-dimethylpropanamide (CID 80510567) is 3-[(4-cyano-5,6-diethylpyridazin-3-yl)amino]-N,N-dimethylpropanamide.
What is the SMILES notation for 3-[(4-cyano-5,6-diethylpyridazin-3-yl)amino]-N,N-dimethylpropanamide?
The canonical SMILES for 3-[(4-cyano-5,6-diethylpyridazin-3-yl)amino]-N,N-dimethylpropanamide is CCc1nnc(NCCC(=O)N(C)C)c(C#N)c1CC.
What is the InChIKey of 3-[(4-cyano-5,6-diethylpyridazin-3-yl)amino]-N,N-dimethylpropanamide?
The InChIKey is PTIMKZITRFKVCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5O/c1-5-10-11(9-15)14(18-17-12(10)6-2)16-8-7-13(20)19(3)4/h5-8H2,1-4H3,(H,16,18).
What are the key properties of 3-[(4-cyano-5,6-diethylpyridazin-3-yl)amino]-N,N-dimethylpropanamide?
3-[(4-cyano-5,6-diethylpyridazin-3-yl)amino]-N,N-dimethylpropanamide has a molecular weight of 275.36 g/mol, XLogP of 1.36, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-cyano-5,6-diethylpyridazin-3-yl)amino]-N,N-dimethylpropanamide is sourced from PubChem (CID 80510567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).