N-[[3-[(4-cyano-5,6-diethylpyridazin-3-yl)amino]phenyl]methyl]-N-methylacetamide

C19H23N5O — CID 75379454

IUPACN-[[3-[(4-cyano-5,6-diethylpyridazin-3-yl)amino]phenyl]methyl]-N-methylacetamide
SMILESCCc1nnc(Nc2cccc(CN(C)C(C)=O)c2)c(C#N)c1CC
InChIInChI=1S/C19H23N5O/c1-5-16-17(11-20)19(23-22-18(16)6-2)21-15-9-7-8-14(10-15)12-24(4)13(3)25/h7-10H,5-6,12H2,1-4H3,(H,21,23)
InChIKeyDEIGAQFMYVJGBC-UHFFFAOYSA-N
MW337.43 g/mol
LogP3.19
Rot. Bonds6

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

N-[[3-[(4-cyano-5,6-diethylpyridazin-3-yl)amino]phenyl]methyl]-N-methylacetamide (PubChem CID 75379454) has the molecular formula C19H23N5O and a molecular weight of 337.43 g/mol. Its IUPAC name is N-[[3-[(4-cyano-5,6-diethylpyridazin-3-yl)amino]phenyl]methyl]-N-methylacetamide.

Molecular Properties

Compound NameN-[[3-[(4-cyano-5,6-diethylpyridazin-3-yl)amino]phenyl]methyl]-N-methylacetamide
PubChem CID75379454
Molecular FormulaC19H23N5O
Molecular Weight337.43 g/mol
Exact Mass337.19
IUPAC NameN-[[3-[(4-cyano-5,6-diethylpyridazin-3-yl)amino]phenyl]methyl]-N-methylacetamide
SMILESCCc1nnc(Nc2cccc(CN(C)C(C)=O)c2)c(C#N)c1CC
InChIInChI=1S/C19H23N5O/c1-5-16-17(11-20)19(23-22-18(16)6-2)21-15-9-7-8-14(10-15)12-24(4)13(3)25/h7-10H,5-6,12H2,1-4H3,(H,21,23)
InChIKeyDEIGAQFMYVJGBC-UHFFFAOYSA-N
XLogP3.19
TPSA81.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.43
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5,6-diethyl-3-[3-(morpholin-4-ylmethyl)anilino]pyridazine-4-carbonitrile
CID 133360401
methyl N-[4-[(4-cyano-5,6-diethylpyridazin-3-yl)amino]phenyl]-N-methylcarbamate
CID 133360147
3-(3-bromo-4-methylanilino)-5,6-diethylpyridazine-4-carbonitrile
CID 80504590
3-(3-ethylanilino)-5,6-dimethylpyridazine-4-carbonitrile
CID 31535423
5,6-diethyl-3-[(3-fluorophenyl)methylamino]pyridazine-4-carbonitrile
CID 80508640
N-[3-[[acetyl(methyl)amino]methyl]phenyl]-3-(4-cyanophenyl)propanamide
CID 33228520
3-[4-(2-cyanopropan-2-yl)anilino]-5,6-diethylpyridazine-4-carbonitrile
CID 133373625
3-(4-chloro-2-methylanilino)-5,6-diethylpyridazine-4-carbonitrile
CID 80508584
3-(4-bromo-2-fluoroanilino)-5,6-diethylpyridazine-4-carbonitrile
CID 80508420
N-[3-[[acetyl(methyl)amino]methyl]phenyl]-3-bromopropanamide
CID 113385188
5,6-diethyl-3-[[2-hydroxy-2-(3-methylphenyl)ethyl]amino]pyridazine-4-carbonitrile
CID 133375206
N-methyl-N-[[3-(3-methylbutan-2-ylamino)phenyl]methyl]acetamide
CID 43724408

Frequently Asked Questions

What is the IUPAC name of N-[[3-[(4-cyano-5,6-diethylpyridazin-3-yl)amino]phenyl]methyl]-N-methylacetamide?
The IUPAC name of N-[[3-[(4-cyano-5,6-diethylpyridazin-3-yl)amino]phenyl]methyl]-N-methylacetamide (CID 75379454) is N-[[3-[(4-cyano-5,6-diethylpyridazin-3-yl)amino]phenyl]methyl]-N-methylacetamide.
What is the SMILES notation for N-[[3-[(4-cyano-5,6-diethylpyridazin-3-yl)amino]phenyl]methyl]-N-methylacetamide?
The canonical SMILES for N-[[3-[(4-cyano-5,6-diethylpyridazin-3-yl)amino]phenyl]methyl]-N-methylacetamide is CCc1nnc(Nc2cccc(CN(C)C(C)=O)c2)c(C#N)c1CC.
What is the InChIKey of N-[[3-[(4-cyano-5,6-diethylpyridazin-3-yl)amino]phenyl]methyl]-N-methylacetamide?
The InChIKey is DEIGAQFMYVJGBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O/c1-5-16-17(11-20)19(23-22-18(16)6-2)21-15-9-7-8-14(10-15)12-24(4)13(3)25/h7-10H,5-6,12H2,1-4H3,(H,21,23).
What are the key properties of N-[[3-[(4-cyano-5,6-diethylpyridazin-3-yl)amino]phenyl]methyl]-N-methylacetamide?
N-[[3-[(4-cyano-5,6-diethylpyridazin-3-yl)amino]phenyl]methyl]-N-methylacetamide has a molecular weight of 337.43 g/mol, XLogP of 3.19, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[(4-cyano-5,6-diethylpyridazin-3-yl)amino]phenyl]methyl]-N-methylacetamide is sourced from PubChem (CID 75379454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).