6-chloro-N-[3-[(3-chloro-4-cyanophenyl)methyl]-2,2,4,4-tetramethylcyclobutyl]pyridazine-3-carboxamide

C21H22Cl2N4O — CID 166980957

IUPAC6-chloro-N-[3-[(3-chloro-4-cyanophenyl)methyl]-2,2,4,4-tetramethylcyclobutyl]pyridazine-3-carboxamide
SMILESCC1(C)C(Cc2ccc(C#N)c(Cl)c2)C(C)(C)C1NC(=O)c1ccc(Cl)nn1
InChIInChI=1S/C21H22Cl2N4O/c1-20(2)16(10-12-5-6-13(11-24)14(22)9-12)21(3,4)19(20)25-18(28)15-7-8-17(23)27-26-15/h5-9,16,19H,10H2,1-4H3,(H,25,28)
InChIKeyUKGINYRZWSMMKN-UHFFFAOYSA-N
MW417.34 g/mol
LogP4.68
Rot. Bonds4

About 6-chloro-N-[3-[(3-chloro-4-cyanophenyl)methyl]-2,2,4,4-tetramethylcyclobutyl]pyridazine-3-carboxamide

6-chloro-N-[3-[(3-chloro-4-cyanophenyl)methyl]-2,2,4,4-tetramethylcyclobutyl]pyridazine-3-carboxamide (PubChem CID 166980957) has the molecular formula C21H22Cl2N4O and a molecular weight of 417.34 g/mol. Its IUPAC name is 6-chloro-N-[3-[(3-chloro-4-cyanophenyl)methyl]-2,2,4,4-tetramethylcyclobutyl]pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-chloro-N-[3-[(3-chloro-4-cyanophenyl)methyl]-2,2,4,4-tetramethylcyclobutyl]pyridazine-3-carboxamide
PubChem CID166980957
Molecular FormulaC21H22Cl2N4O
Molecular Weight417.34 g/mol
Exact Mass416.12
IUPAC Name6-chloro-N-[3-[(3-chloro-4-cyanophenyl)methyl]-2,2,4,4-tetramethylcyclobutyl]pyridazine-3-carboxamide
SMILESCC1(C)C(Cc2ccc(C#N)c(Cl)c2)C(C)(C)C1NC(=O)c1ccc(Cl)nn1
InChIInChI=1S/C21H22Cl2N4O/c1-20(2)16(10-12-5-6-13(11-24)14(22)9-12)21(3,4)19(20)25-18(28)15-7-8-17(23)27-26-15/h5-9,16,19H,10H2,1-4H3,(H,25,28)
InChIKeyUKGINYRZWSMMKN-UHFFFAOYSA-N
XLogP4.68
TPSA78.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.34
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(3-chloro-4-cyanophenoxy)-2,2,4,4-tetramethylcyclobutyl]-6-methylpyridazine-3-carboxamide
CID 148941070
6-chloro-N-[3-[(3-chloro-4-cyanocyclohexa-2,4-dien-1-ylidene)methyl]-2,2,4,4-tetramethylcyclobutyl]pyridazine-3-carboxamide
CID 163556010
N-[3-(3-chloro-4-cyanophenoxy)-2,2,4,4-tetramethylcyclobutyl]-1-(2-cyanoethyl)pyrazole-3-carboxamide
CID 56648509
N-[3-(3-chloro-4-cyanophenoxy)-2,2,4,4-tetramethylcyclobutyl]-5-methyl-1,3,4-oxadiazole-2-carboxamide
CID 56648414
tert-butyl (4Z)-4-[[6-[[3-(3-chloro-4-cyanophenoxy)-2,2,4,4-tetramethylcyclobutyl]carbamoyl]pyridazin-3-yl]methylidene]azepane-1-carboxylate
CID 163732055
N-[3-(3-chloro-4-cyanophenoxy)-2,2,4,4-tetramethylcyclobutyl]-6-methylpyridine-3-carboxamide;ethane
CID 142409450
4-[3-(azetidin-3-yl)propyl]-N-[3-(3-chloro-4-cyanophenoxy)-2,2,4,4-tetramethylcyclobutyl]benzamide
CID 134413851
N-[3-(3-chloro-4-cyanophenoxy)-2,2,4,4-tetramethylcyclobutyl]-2-(5-hydroxypent-3-ynyl)pyrimidine-5-carboxamide
CID 176983408
6-chloro-N-(2,2-dimethyloxan-4-yl)pyridazine-3-carboxamide
CID 83033818
N-[4-[(3-chloro-4-cyanophenyl)methylamino]cyclohexyl]-6-[4-(6-oxohexyl)piperidin-1-yl]pyridazine-3-carboxamide
CID 176554176
N-[[3-(3-chloro-4-cyanoanilino)-2,2,4,4-tetramethylcyclobutyl]methyl]-4-propan-2-ylbenzamide
CID 177193577
6-chloropyridazine-3-carbohydrazide
CID 10080848

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[3-[(3-chloro-4-cyanophenyl)methyl]-2,2,4,4-tetramethylcyclobutyl]pyridazine-3-carboxamide?
The IUPAC name of 6-chloro-N-[3-[(3-chloro-4-cyanophenyl)methyl]-2,2,4,4-tetramethylcyclobutyl]pyridazine-3-carboxamide (CID 166980957) is 6-chloro-N-[3-[(3-chloro-4-cyanophenyl)methyl]-2,2,4,4-tetramethylcyclobutyl]pyridazine-3-carboxamide.
What is the SMILES notation for 6-chloro-N-[3-[(3-chloro-4-cyanophenyl)methyl]-2,2,4,4-tetramethylcyclobutyl]pyridazine-3-carboxamide?
The canonical SMILES for 6-chloro-N-[3-[(3-chloro-4-cyanophenyl)methyl]-2,2,4,4-tetramethylcyclobutyl]pyridazine-3-carboxamide is CC1(C)C(Cc2ccc(C#N)c(Cl)c2)C(C)(C)C1NC(=O)c1ccc(Cl)nn1.
What is the InChIKey of 6-chloro-N-[3-[(3-chloro-4-cyanophenyl)methyl]-2,2,4,4-tetramethylcyclobutyl]pyridazine-3-carboxamide?
The InChIKey is UKGINYRZWSMMKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22Cl2N4O/c1-20(2)16(10-12-5-6-13(11-24)14(22)9-12)21(3,4)19(20)25-18(28)15-7-8-17(23)27-26-15/h5-9,16,19H,10H2,1-4H3,(H,25,28).
What are the key properties of 6-chloro-N-[3-[(3-chloro-4-cyanophenyl)methyl]-2,2,4,4-tetramethylcyclobutyl]pyridazine-3-carboxamide?
6-chloro-N-[3-[(3-chloro-4-cyanophenyl)methyl]-2,2,4,4-tetramethylcyclobutyl]pyridazine-3-carboxamide has a molecular weight of 417.34 g/mol, XLogP of 4.68, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[3-[(3-chloro-4-cyanophenyl)methyl]-2,2,4,4-tetramethylcyclobutyl]pyridazine-3-carboxamide is sourced from PubChem (CID 166980957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).