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

C14H21N5O — CID 106236890

IUPAC5-[(4-cyano-5,6-diethylpyridazin-3-yl)amino]pentanamide
SMILESCCc1nnc(NCCCCC(N)=O)c(C#N)c1CC
InChIInChI=1S/C14H21N5O/c1-3-10-11(9-15)14(19-18-12(10)4-2)17-8-6-5-7-13(16)20/h3-8H2,1-2H3,(H2,16,20)(H,17,19)
InChIKeyOPAUQVRMEBZALL-UHFFFAOYSA-N
MW275.36 g/mol
LogP1.54
Rot. Bonds8

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

5-[(4-cyano-5,6-diethylpyridazin-3-yl)amino]pentanamide (PubChem CID 106236890) has the molecular formula C14H21N5O and a molecular weight of 275.36 g/mol. Its IUPAC name is 5-[(4-cyano-5,6-diethylpyridazin-3-yl)amino]pentanamide.

Molecular Properties

Compound Name5-[(4-cyano-5,6-diethylpyridazin-3-yl)amino]pentanamide
PubChem CID106236890
Molecular FormulaC14H21N5O
Molecular Weight275.36 g/mol
Exact Mass275.17
IUPAC Name5-[(4-cyano-5,6-diethylpyridazin-3-yl)amino]pentanamide
SMILESCCc1nnc(NCCCCC(N)=O)c(C#N)c1CC
InChIInChI=1S/C14H21N5O/c1-3-10-11(9-15)14(19-18-12(10)4-2)17-8-6-5-7-13(16)20/h3-8H2,1-2H3,(H2,16,20)(H,17,19)
InChIKeyOPAUQVRMEBZALL-UHFFFAOYSA-N
XLogP1.54
TPSA104.69 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.36
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-[(4-cyano-5,6-diethylpyridazin-3-yl)amino]butanoic acid
CID 80508019
2-[(4-cyano-5,6-diethylpyridazin-3-yl)amino]ethylurea
CID 80527134
3-[(4-cyano-5,6-diethylpyridazin-3-yl)amino]-N,N-dimethylpropanamide
CID 80510567
5,6-diethyl-3-(5-methylhexylamino)pyridazine-4-carbonitrile
CID 115325591
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-(prop-2-ynylamino)pyridazine-4-carbonitrile
CID 80509398
5,6-diethyl-3-(3-methylsulfanylbutylamino)pyridazine-4-carbonitrile
CID 115693754

Frequently Asked Questions

What is the IUPAC name of 5-[(4-cyano-5,6-diethylpyridazin-3-yl)amino]pentanamide?
The IUPAC name of 5-[(4-cyano-5,6-diethylpyridazin-3-yl)amino]pentanamide (CID 106236890) is 5-[(4-cyano-5,6-diethylpyridazin-3-yl)amino]pentanamide.
What is the SMILES notation for 5-[(4-cyano-5,6-diethylpyridazin-3-yl)amino]pentanamide?
The canonical SMILES for 5-[(4-cyano-5,6-diethylpyridazin-3-yl)amino]pentanamide is CCc1nnc(NCCCCC(N)=O)c(C#N)c1CC.
What is the InChIKey of 5-[(4-cyano-5,6-diethylpyridazin-3-yl)amino]pentanamide?
The InChIKey is OPAUQVRMEBZALL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5O/c1-3-10-11(9-15)14(19-18-12(10)4-2)17-8-6-5-7-13(16)20/h3-8H2,1-2H3,(H2,16,20)(H,17,19).
What are the key properties of 5-[(4-cyano-5,6-diethylpyridazin-3-yl)amino]pentanamide?
5-[(4-cyano-5,6-diethylpyridazin-3-yl)amino]pentanamide has a molecular weight of 275.36 g/mol, XLogP of 1.54, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-cyano-5,6-diethylpyridazin-3-yl)amino]pentanamide is sourced from PubChem (CID 106236890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).