N-(3,5-dichlorophenyl)-6-(prop-2-enylamino)pyridazine-3-carboxamide

C14H12Cl2N4O — CID 109110366

IUPACN-(3,5-dichlorophenyl)-6-(prop-2-enylamino)pyridazine-3-carboxamide
SMILESC=CCNc1ccc(C(=O)Nc2cc(Cl)cc(Cl)c2)nn1
InChIInChI=1S/C14H12Cl2N4O/c1-2-5-17-13-4-3-12(19-20-13)14(21)18-11-7-9(15)6-10(16)8-11/h2-4,6-8H,1,5H2,(H,17,20)(H,18,21)
InChIKeyUPYIMDQOBYMCEA-UHFFFAOYSA-N
MW323.18 g/mol
LogP3.63
Rot. Bonds5

About N-(3,5-dichlorophenyl)-6-(prop-2-enylamino)pyridazine-3-carboxamide

N-(3,5-dichlorophenyl)-6-(prop-2-enylamino)pyridazine-3-carboxamide (PubChem CID 109110366) has the molecular formula C14H12Cl2N4O and a molecular weight of 323.18 g/mol. Its IUPAC name is N-(3,5-dichlorophenyl)-6-(prop-2-enylamino)pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(3,5-dichlorophenyl)-6-(prop-2-enylamino)pyridazine-3-carboxamide
PubChem CID109110366
Molecular FormulaC14H12Cl2N4O
Molecular Weight323.18 g/mol
Exact Mass322.04
IUPAC NameN-(3,5-dichlorophenyl)-6-(prop-2-enylamino)pyridazine-3-carboxamide
SMILESC=CCNc1ccc(C(=O)Nc2cc(Cl)cc(Cl)c2)nn1
InChIInChI=1S/C14H12Cl2N4O/c1-2-5-17-13-4-3-12(19-20-13)14(21)18-11-7-9(15)6-10(16)8-11/h2-4,6-8H,1,5H2,(H,17,20)(H,18,21)
InChIKeyUPYIMDQOBYMCEA-UHFFFAOYSA-N
XLogP3.63
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.18
LogP ≤ 53.63
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

N-(3,5-dichlorophenyl)-6-(ethylamino)pyridazine-3-carboxamide
CID 62173126
N-(3,4-dimethylphenyl)-6-(prop-2-enylamino)pyridazine-3-carboxamide
CID 109110282
N-(3-fluorophenyl)-6-(prop-2-enylamino)pyridazine-3-carboxamide
CID 109110345
N-(4-cyanophenyl)-6-(prop-2-enylamino)pyridazine-3-carboxamide
CID 109110375
N-(3-acetylphenyl)-6-(prop-2-enylamino)pyridazine-3-carboxamide
CID 109110326
methyl 4-[[6-(prop-2-enylamino)pyridazine-3-carbonyl]amino]benzoate
CID 109110332
N-(1,3-benzodioxol-5-yl)-6-(prop-2-enylamino)pyridazine-3-carboxamide
CID 109110351
N-(3,5-dichlorophenyl)-6-(pyridin-4-ylmethylamino)pyridazine-3-carboxamide
CID 109121355
N-(5-chloro-2-methoxyphenyl)-6-(prop-2-enylamino)pyridazine-3-carboxamide
CID 109110309
N-(3,5-dichlorophenyl)-6-(pyridin-2-ylmethylamino)pyridazine-3-carboxamide
CID 109120782
N-(4-phenylmethoxyphenyl)-6-(prop-2-enylamino)pyridazine-3-carboxamide
CID 109110344
N-(4-chloro-2,5-dimethoxyphenyl)-6-(prop-2-enylamino)pyridazine-3-carboxamide
CID 109110369

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dichlorophenyl)-6-(prop-2-enylamino)pyridazine-3-carboxamide?
The IUPAC name of N-(3,5-dichlorophenyl)-6-(prop-2-enylamino)pyridazine-3-carboxamide (CID 109110366) is N-(3,5-dichlorophenyl)-6-(prop-2-enylamino)pyridazine-3-carboxamide.
What is the SMILES notation for N-(3,5-dichlorophenyl)-6-(prop-2-enylamino)pyridazine-3-carboxamide?
The canonical SMILES for N-(3,5-dichlorophenyl)-6-(prop-2-enylamino)pyridazine-3-carboxamide is C=CCNc1ccc(C(=O)Nc2cc(Cl)cc(Cl)c2)nn1.
What is the InChIKey of N-(3,5-dichlorophenyl)-6-(prop-2-enylamino)pyridazine-3-carboxamide?
The InChIKey is UPYIMDQOBYMCEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Cl2N4O/c1-2-5-17-13-4-3-12(19-20-13)14(21)18-11-7-9(15)6-10(16)8-11/h2-4,6-8H,1,5H2,(H,17,20)(H,18,21).
What are the key properties of N-(3,5-dichlorophenyl)-6-(prop-2-enylamino)pyridazine-3-carboxamide?
N-(3,5-dichlorophenyl)-6-(prop-2-enylamino)pyridazine-3-carboxamide has a molecular weight of 323.18 g/mol, XLogP of 3.63, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dichlorophenyl)-6-(prop-2-enylamino)pyridazine-3-carboxamide is sourced from PubChem (CID 109110366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).