N-(3-cyanophenyl)-6-(2-propan-2-ylanilino)pyridazine-3-carboxamide

C21H19N5O — CID 109128178

IUPACN-(3-cyanophenyl)-6-(2-propan-2-ylanilino)pyridazine-3-carboxamide
SMILESCC(C)c1ccccc1Nc1ccc(C(=O)Nc2cccc(C#N)c2)nn1
InChIInChI=1S/C21H19N5O/c1-14(2)17-8-3-4-9-18(17)24-20-11-10-19(25-26-20)21(27)23-16-7-5-6-15(12-16)13-22/h3-12,14H,1-2H3,(H,23,27)(H,24,26)
InChIKeyDQHNTGFZGQZDEV-UHFFFAOYSA-N
MW357.42 g/mol
LogP4.47
Rot. Bonds5

About N-(3-cyanophenyl)-6-(2-propan-2-ylanilino)pyridazine-3-carboxamide

N-(3-cyanophenyl)-6-(2-propan-2-ylanilino)pyridazine-3-carboxamide (PubChem CID 109128178) has the molecular formula C21H19N5O and a molecular weight of 357.42 g/mol. Its IUPAC name is N-(3-cyanophenyl)-6-(2-propan-2-ylanilino)pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(3-cyanophenyl)-6-(2-propan-2-ylanilino)pyridazine-3-carboxamide
PubChem CID109128178
Molecular FormulaC21H19N5O
Molecular Weight357.42 g/mol
Exact Mass357.16
IUPAC NameN-(3-cyanophenyl)-6-(2-propan-2-ylanilino)pyridazine-3-carboxamide
SMILESCC(C)c1ccccc1Nc1ccc(C(=O)Nc2cccc(C#N)c2)nn1
InChIInChI=1S/C21H19N5O/c1-14(2)17-8-3-4-9-18(17)24-20-11-10-19(25-26-20)21(27)23-16-7-5-6-15(12-16)13-22/h3-12,14H,1-2H3,(H,23,27)(H,24,26)
InChIKeyDQHNTGFZGQZDEV-UHFFFAOYSA-N
XLogP4.47
TPSA90.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.42
LogP ≤ 54.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-cyanophenyl)-6-(2-fluoroanilino)pyridazine-3-carboxamide
CID 109128393
6-(3-chloro-2-methylanilino)-N-(3-cyanophenyl)pyridazine-3-carboxamide
CID 109128825
N-(3-cyanophenyl)-6-(2,4-dimethylanilino)pyridazine-3-carboxamide
CID 109127539
6-(3-cyanoanilino)-N-(4-cyanophenyl)pyridazine-3-carboxamide
CID 109130370
6-(4-acetylanilino)-N-(3-cyanophenyl)pyridazine-3-carboxamide
CID 109129841
N-(2-bromophenyl)-6-(3-cyanoanilino)pyridazine-3-carboxamide
CID 109130131
N-(3-cyanophenyl)-6-(2,6-difluoroanilino)pyridazine-3-carboxamide
CID 109130379
N-(3-cyanophenyl)-6-(4-ethylanilino)pyridazine-3-carboxamide
CID 109127987
N-(3-chloro-4-methylphenyl)-6-(3-cyanoanilino)pyridazine-3-carboxamide
CID 109128993
6-(3-cyanoanilino)-N-(4-fluorophenyl)pyridazine-3-carboxamide
CID 109128566
N-(3-cyanophenyl)-6-phenylpyridazine-3-carboxamide
CID 113200693
N-(5-methyl-1,2-oxazol-3-yl)-6-(2-propan-2-ylanilino)pyridazine-3-carboxamide
CID 109128180

Frequently Asked Questions

What is the IUPAC name of N-(3-cyanophenyl)-6-(2-propan-2-ylanilino)pyridazine-3-carboxamide?
The IUPAC name of N-(3-cyanophenyl)-6-(2-propan-2-ylanilino)pyridazine-3-carboxamide (CID 109128178) is N-(3-cyanophenyl)-6-(2-propan-2-ylanilino)pyridazine-3-carboxamide.
What is the SMILES notation for N-(3-cyanophenyl)-6-(2-propan-2-ylanilino)pyridazine-3-carboxamide?
The canonical SMILES for N-(3-cyanophenyl)-6-(2-propan-2-ylanilino)pyridazine-3-carboxamide is CC(C)c1ccccc1Nc1ccc(C(=O)Nc2cccc(C#N)c2)nn1.
What is the InChIKey of N-(3-cyanophenyl)-6-(2-propan-2-ylanilino)pyridazine-3-carboxamide?
The InChIKey is DQHNTGFZGQZDEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N5O/c1-14(2)17-8-3-4-9-18(17)24-20-11-10-19(25-26-20)21(27)23-16-7-5-6-15(12-16)13-22/h3-12,14H,1-2H3,(H,23,27)(H,24,26).
What are the key properties of N-(3-cyanophenyl)-6-(2-propan-2-ylanilino)pyridazine-3-carboxamide?
N-(3-cyanophenyl)-6-(2-propan-2-ylanilino)pyridazine-3-carboxamide has a molecular weight of 357.42 g/mol, XLogP of 4.47, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyanophenyl)-6-(2-propan-2-ylanilino)pyridazine-3-carboxamide is sourced from PubChem (CID 109128178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).