N-[1-(6-cyanopyridazin-3-yl)pyrrolidin-3-yl]formamide;N-methyl-4-propan-2-ylaniline

C20H26N6O — CID 145425981

IUPACN-[1-(6-cyanopyridazin-3-yl)pyrrolidin-3-yl]formamide;N-methyl-4-propan-2-ylaniline
SMILESCNc1ccc(C(C)C)cc1.N#Cc1ccc(N2CCC(NC=O)C2)nn1
InChIInChI=1S/C10H11N5O.C10H15N/c11-5-8-1-2-10(14-13-8)15-4-3-9(6-15)12-7-16;1-8(2)9-4-6-10(11-3)7-5-9/h1-2,7,9H,3-4,6H2,(H,12,16);4-8,11H,1-3H3
InChIKeyUYWFGTXYMCIBMV-UHFFFAOYSA-N
MW366.47 g/mol
LogP2.52
Rot. Bonds5

About N-[1-(6-cyanopyridazin-3-yl)pyrrolidin-3-yl]formamide;N-methyl-4-propan-2-ylaniline

N-[1-(6-cyanopyridazin-3-yl)pyrrolidin-3-yl]formamide;N-methyl-4-propan-2-ylaniline (PubChem CID 145425981) has the molecular formula C20H26N6O and a molecular weight of 366.47 g/mol. Its IUPAC name is N-[1-(6-cyanopyridazin-3-yl)pyrrolidin-3-yl]formamide;N-methyl-4-propan-2-ylaniline.

Molecular Properties

Compound NameN-[1-(6-cyanopyridazin-3-yl)pyrrolidin-3-yl]formamide;N-methyl-4-propan-2-ylaniline
PubChem CID145425981
Molecular FormulaC20H26N6O
Molecular Weight366.47 g/mol
Exact Mass366.22
IUPAC NameN-[1-(6-cyanopyridazin-3-yl)pyrrolidin-3-yl]formamide;N-methyl-4-propan-2-ylaniline
SMILESCNc1ccc(C(C)C)cc1.N#Cc1ccc(N2CCC(NC=O)C2)nn1
InChIInChI=1S/C10H11N5O.C10H15N/c11-5-8-1-2-10(14-13-8)15-4-3-9(6-15)12-7-16;1-8(2)9-4-6-10(11-3)7-5-9/h1-2,7,9H,3-4,6H2,(H,12,16);4-8,11H,1-3H3
InChIKeyUYWFGTXYMCIBMV-UHFFFAOYSA-N
XLogP2.52
TPSA93.94 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.47
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[1-(6-cyanopyridazin-3-yl)pyrrolidin-3-yl]-2-(4-propan-2-ylphenyl)acetamide;methanol
CID 145425836
6-[(3R)-3-[[1-hydroxy-2-(4-propan-2-ylphenyl)ethyl]amino]pyrrolidin-1-yl]pyridazine-3-carbonitrile
CID 167119983
6-[4-(methylamino)piperidin-1-yl]pyridazine-3-carbonitrile;hydrochloride
CID 121283820
N-[(3S)-1-(6-cyanopyridazin-3-yl)pyrrolidin-3-yl]-2-[4-(1-hydroxypropan-2-yl)phenyl]acetamide
CID 139547940
1-[(3S,4S)-1-(6-cyanopyridazin-3-yl)-4-(methylamino)pyrrolidin-3-yl]-3-(4-propan-2-ylphenyl)urea
CID 139548282
1-[(3S)-1-(6-cyanopyridazin-3-yl)-4-oxopyrrolidin-3-yl]-3-(4-propan-2-ylphenyl)urea
CID 139548157
1-[(3R,4S)-1-(6-cyanopyridazin-3-yl)-4-(dimethylamino)pyrrolidin-3-yl]-3-(4-propan-2-ylphenyl)urea
CID 139548283
1-[(7R)-5-(6-cyanopyridazin-3-yl)-5-azaspiro[2.4]heptan-7-yl]-3-(4-propan-2-ylphenyl)urea
CID 139548156
N-[(3R,4R)-1-(6-cyanopyridazin-3-yl)-4-(methylamino)pyrrolidin-3-yl]-2-(4-propan-2-ylphenyl)acetamide
CID 139547772
6-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]pyridazine-3-carbonitrile
CID 145425808
1-[1-(6-cyanopyridazin-3-yl)-4-(hydroxymethyl)pyrrolidin-3-yl]-3-(4-propan-2-ylphenyl)urea
CID 145425802
1-[(3S,4R)-1-(6-cyanopyridazin-3-yl)-4-(hydroxymethyl)pyrrolidin-3-yl]-3-(4-propan-2-ylphenyl)urea
CID 139548160

Frequently Asked Questions

What is the IUPAC name of N-[1-(6-cyanopyridazin-3-yl)pyrrolidin-3-yl]formamide;N-methyl-4-propan-2-ylaniline?
The IUPAC name of N-[1-(6-cyanopyridazin-3-yl)pyrrolidin-3-yl]formamide;N-methyl-4-propan-2-ylaniline (CID 145425981) is N-[1-(6-cyanopyridazin-3-yl)pyrrolidin-3-yl]formamide;N-methyl-4-propan-2-ylaniline.
What is the SMILES notation for N-[1-(6-cyanopyridazin-3-yl)pyrrolidin-3-yl]formamide;N-methyl-4-propan-2-ylaniline?
The canonical SMILES for N-[1-(6-cyanopyridazin-3-yl)pyrrolidin-3-yl]formamide;N-methyl-4-propan-2-ylaniline is CNc1ccc(C(C)C)cc1.N#Cc1ccc(N2CCC(NC=O)C2)nn1.
What is the InChIKey of N-[1-(6-cyanopyridazin-3-yl)pyrrolidin-3-yl]formamide;N-methyl-4-propan-2-ylaniline?
The InChIKey is UYWFGTXYMCIBMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N5O.C10H15N/c11-5-8-1-2-10(14-13-8)15-4-3-9(6-15)12-7-16;1-8(2)9-4-6-10(11-3)7-5-9/h1-2,7,9H,3-4,6H2,(H,12,16);4-8,11H,1-3H3.
What are the key properties of N-[1-(6-cyanopyridazin-3-yl)pyrrolidin-3-yl]formamide;N-methyl-4-propan-2-ylaniline?
N-[1-(6-cyanopyridazin-3-yl)pyrrolidin-3-yl]formamide;N-methyl-4-propan-2-ylaniline has a molecular weight of 366.47 g/mol, XLogP of 2.52, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(6-cyanopyridazin-3-yl)pyrrolidin-3-yl]formamide;N-methyl-4-propan-2-ylaniline is sourced from PubChem (CID 145425981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).