6-[[1-(cyclohexanecarbonyl)pyrrolidin-3-yl]amino]pyridazine-3-carbonitrile

C16H21N5O — CID 133420304

IUPAC6-[[1-(cyclohexanecarbonyl)pyrrolidin-3-yl]amino]pyridazine-3-carbonitrile
SMILESN#Cc1ccc(NC2CCN(C(=O)C3CCCCC3)C2)nn1
InChIInChI=1S/C16H21N5O/c17-10-13-6-7-15(20-19-13)18-14-8-9-21(11-14)16(22)12-4-2-1-3-5-12/h6-7,12,14H,1-5,8-9,11H2,(H,18,20)
InChIKeyICOXWEIODNJCJF-UHFFFAOYSA-N
MW299.38 g/mol
LogP1.94
Rot. Bonds3

About 6-[[1-(cyclohexanecarbonyl)pyrrolidin-3-yl]amino]pyridazine-3-carbonitrile

6-[[1-(cyclohexanecarbonyl)pyrrolidin-3-yl]amino]pyridazine-3-carbonitrile (PubChem CID 133420304) has the molecular formula C16H21N5O and a molecular weight of 299.38 g/mol. Its IUPAC name is 6-[[1-(cyclohexanecarbonyl)pyrrolidin-3-yl]amino]pyridazine-3-carbonitrile.

Molecular Properties

Compound Name6-[[1-(cyclohexanecarbonyl)pyrrolidin-3-yl]amino]pyridazine-3-carbonitrile
PubChem CID133420304
Molecular FormulaC16H21N5O
Molecular Weight299.38 g/mol
Exact Mass299.17
IUPAC Name6-[[1-(cyclohexanecarbonyl)pyrrolidin-3-yl]amino]pyridazine-3-carbonitrile
SMILESN#Cc1ccc(NC2CCN(C(=O)C3CCCCC3)C2)nn1
InChIInChI=1S/C16H21N5O/c17-10-13-6-7-15(20-19-13)18-14-8-9-21(11-14)16(22)12-4-2-1-3-5-12/h6-7,12,14H,1-5,8-9,11H2,(H,18,20)
InChIKeyICOXWEIODNJCJF-UHFFFAOYSA-N
XLogP1.94
TPSA81.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.38
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-chloro-6-[[1-(cyclopentanecarbonyl)pyrrolidin-3-yl]amino]pyridine-2-carbonitrile
CID 133366780
6-(cyclopentylamino)pyridazine-3-carbonitrile
CID 126988363
[3-[(6-chloro-2-methylpyrimidin-4-yl)amino]pyrrolidin-1-yl]-cyclopentylmethanone
CID 133367003
[(1S)-5-carbamoyl-2-adamantyl] (3R)-3-[(6-cyanopyridazin-3-yl)amino]pyrrolidine-1-carboxylate
CID 66883688
[3-[(8-bromoquinolin-2-yl)amino]pyrrolidin-1-yl]-cyclopentylmethanone
CID 133366766
[3-[(6-bromo-7-fluoroquinolin-2-yl)amino]pyrrolidin-1-yl]-cyclopentylmethanone
CID 133366907
cyclopentyl-[3-[(6-nitroquinolin-2-yl)amino]pyrrolidin-1-yl]methanone
CID 133366889
cyclopropyl-[(3R)-3-(pyridin-2-ylamino)pyrrolidin-1-yl]methanone
CID 175863488
6-[(1-ethylsulfonylpiperidin-4-yl)amino]pyridazine-3-carbonitrile
CID 133433430
cyclohexyl-[4-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]piperidin-1-yl]methanone
CID 133291151
3-[(6-aminopyridazin-3-yl)amino]pyrrolidine-1-carboxylic acid
CID 175425604
cyclohexyl-[3-[(6,7-dimethoxyquinolin-4-yl)amino]pyrrolidin-1-yl]methanone
CID 166237055

Frequently Asked Questions

What is the IUPAC name of 6-[[1-(cyclohexanecarbonyl)pyrrolidin-3-yl]amino]pyridazine-3-carbonitrile?
The IUPAC name of 6-[[1-(cyclohexanecarbonyl)pyrrolidin-3-yl]amino]pyridazine-3-carbonitrile (CID 133420304) is 6-[[1-(cyclohexanecarbonyl)pyrrolidin-3-yl]amino]pyridazine-3-carbonitrile.
What is the SMILES notation for 6-[[1-(cyclohexanecarbonyl)pyrrolidin-3-yl]amino]pyridazine-3-carbonitrile?
The canonical SMILES for 6-[[1-(cyclohexanecarbonyl)pyrrolidin-3-yl]amino]pyridazine-3-carbonitrile is N#Cc1ccc(NC2CCN(C(=O)C3CCCCC3)C2)nn1.
What is the InChIKey of 6-[[1-(cyclohexanecarbonyl)pyrrolidin-3-yl]amino]pyridazine-3-carbonitrile?
The InChIKey is ICOXWEIODNJCJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O/c17-10-13-6-7-15(20-19-13)18-14-8-9-21(11-14)16(22)12-4-2-1-3-5-12/h6-7,12,14H,1-5,8-9,11H2,(H,18,20).
What are the key properties of 6-[[1-(cyclohexanecarbonyl)pyrrolidin-3-yl]amino]pyridazine-3-carbonitrile?
6-[[1-(cyclohexanecarbonyl)pyrrolidin-3-yl]amino]pyridazine-3-carbonitrile has a molecular weight of 299.38 g/mol, XLogP of 1.94, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[1-(cyclohexanecarbonyl)pyrrolidin-3-yl]amino]pyridazine-3-carbonitrile is sourced from PubChem (CID 133420304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).