N-(2-methyl-6-propan-2-ylphenyl)-6-(prop-2-enylamino)pyridazine-3-carboxamide

C18H22N4O — CID 109110294

IUPACN-(2-methyl-6-propan-2-ylphenyl)-6-(prop-2-enylamino)pyridazine-3-carboxamide
SMILESC=CCNc1ccc(C(=O)Nc2c(C)cccc2C(C)C)nn1
InChIInChI=1S/C18H22N4O/c1-5-11-19-16-10-9-15(21-22-16)18(23)20-17-13(4)7-6-8-14(17)12(2)3/h5-10,12H,1,11H2,2-4H3,(H,19,22)(H,20,23)
InChIKeyPIEZOZHXHZRJDV-UHFFFAOYSA-N
MW310.40 g/mol
LogP3.76
Rot. Bonds6

About N-(2-methyl-6-propan-2-ylphenyl)-6-(prop-2-enylamino)pyridazine-3-carboxamide

N-(2-methyl-6-propan-2-ylphenyl)-6-(prop-2-enylamino)pyridazine-3-carboxamide (PubChem CID 109110294) has the molecular formula C18H22N4O and a molecular weight of 310.40 g/mol. Its IUPAC name is N-(2-methyl-6-propan-2-ylphenyl)-6-(prop-2-enylamino)pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(2-methyl-6-propan-2-ylphenyl)-6-(prop-2-enylamino)pyridazine-3-carboxamide
PubChem CID109110294
Molecular FormulaC18H22N4O
Molecular Weight310.40 g/mol
Exact Mass310.18
IUPAC NameN-(2-methyl-6-propan-2-ylphenyl)-6-(prop-2-enylamino)pyridazine-3-carboxamide
SMILESC=CCNc1ccc(C(=O)Nc2c(C)cccc2C(C)C)nn1
InChIInChI=1S/C18H22N4O/c1-5-11-19-16-10-9-15(21-22-16)18(23)20-17-13(4)7-6-8-14(17)12(2)3/h5-10,12H,1,11H2,2-4H3,(H,19,22)(H,20,23)
InChIKeyPIEZOZHXHZRJDV-UHFFFAOYSA-N
XLogP3.76
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-[2,6-di(propan-2-yl)anilino]-N-prop-2-enylpyridazine-3-carboxamide
CID 109110549
N-(3,4-dimethylphenyl)-6-(prop-2-enylamino)pyridazine-3-carboxamide
CID 109110282
N-(4-acetylphenyl)-6-(2-methyl-6-propan-2-ylanilino)pyridazine-3-carboxamide
CID 109128294
N-(3-acetylphenyl)-6-(prop-2-enylamino)pyridazine-3-carboxamide
CID 109110326
6-(benzylamino)-N-(2,6-dimethylphenyl)pyridazine-3-carboxamide
CID 109117752
N-(3-fluorophenyl)-6-(prop-2-enylamino)pyridazine-3-carboxamide
CID 109110345
2-N,5-N-bis(2-methyl-6-propan-2-ylphenyl)pyridine-2,5-dicarboxamide
CID 1312773
N-(2-methyl-6-propan-2-ylphenyl)-6-piperidin-1-ylpyridazine-3-carboxamide
CID 109112547
N-(4-cyanophenyl)-6-(prop-2-enylamino)pyridazine-3-carboxamide
CID 109110375
6-(4-ethylpiperazin-1-yl)-N-(2-methyl-6-propan-2-ylphenyl)pyridazine-3-carboxamide
CID 109116550
N-(3,5-dichlorophenyl)-6-(prop-2-enylamino)pyridazine-3-carboxamide
CID 109110366
methyl 4-[[6-(prop-2-enylamino)pyridazine-3-carbonyl]amino]benzoate
CID 109110332

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-6-propan-2-ylphenyl)-6-(prop-2-enylamino)pyridazine-3-carboxamide?
The IUPAC name of N-(2-methyl-6-propan-2-ylphenyl)-6-(prop-2-enylamino)pyridazine-3-carboxamide (CID 109110294) is N-(2-methyl-6-propan-2-ylphenyl)-6-(prop-2-enylamino)pyridazine-3-carboxamide.
What is the SMILES notation for N-(2-methyl-6-propan-2-ylphenyl)-6-(prop-2-enylamino)pyridazine-3-carboxamide?
The canonical SMILES for N-(2-methyl-6-propan-2-ylphenyl)-6-(prop-2-enylamino)pyridazine-3-carboxamide is C=CCNc1ccc(C(=O)Nc2c(C)cccc2C(C)C)nn1.
What is the InChIKey of N-(2-methyl-6-propan-2-ylphenyl)-6-(prop-2-enylamino)pyridazine-3-carboxamide?
The InChIKey is PIEZOZHXHZRJDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O/c1-5-11-19-16-10-9-15(21-22-16)18(23)20-17-13(4)7-6-8-14(17)12(2)3/h5-10,12H,1,11H2,2-4H3,(H,19,22)(H,20,23).
What are the key properties of N-(2-methyl-6-propan-2-ylphenyl)-6-(prop-2-enylamino)pyridazine-3-carboxamide?
N-(2-methyl-6-propan-2-ylphenyl)-6-(prop-2-enylamino)pyridazine-3-carboxamide has a molecular weight of 310.40 g/mol, XLogP of 3.76, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-6-propan-2-ylphenyl)-6-(prop-2-enylamino)pyridazine-3-carboxamide is sourced from PubChem (CID 109110294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).