N-(4-cyanophenyl)-6-(prop-2-enylamino)pyridazine-3-carboxamide

C15H13N5O — CID 109110375

IUPACN-(4-cyanophenyl)-6-(prop-2-enylamino)pyridazine-3-carboxamide
SMILESC=CCNc1ccc(C(=O)Nc2ccc(C#N)cc2)nn1
InChIInChI=1S/C15H13N5O/c1-2-9-17-14-8-7-13(19-20-14)15(21)18-12-5-3-11(10-16)4-6-12/h2-8H,1,9H2,(H,17,20)(H,18,21)
InChIKeyTVVTVXKHIBSBJA-UHFFFAOYSA-N
MW279.30 g/mol
LogP2.20
Rot. Bonds5

About N-(4-cyanophenyl)-6-(prop-2-enylamino)pyridazine-3-carboxamide

N-(4-cyanophenyl)-6-(prop-2-enylamino)pyridazine-3-carboxamide (PubChem CID 109110375) has the molecular formula C15H13N5O and a molecular weight of 279.30 g/mol. Its IUPAC name is N-(4-cyanophenyl)-6-(prop-2-enylamino)pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(4-cyanophenyl)-6-(prop-2-enylamino)pyridazine-3-carboxamide
PubChem CID109110375
Molecular FormulaC15H13N5O
Molecular Weight279.30 g/mol
Exact Mass279.11
IUPAC NameN-(4-cyanophenyl)-6-(prop-2-enylamino)pyridazine-3-carboxamide
SMILESC=CCNc1ccc(C(=O)Nc2ccc(C#N)cc2)nn1
InChIInChI=1S/C15H13N5O/c1-2-9-17-14-8-7-13(19-20-14)15(21)18-12-5-3-11(10-16)4-6-12/h2-8H,1,9H2,(H,17,20)(H,18,21)
InChIKeyTVVTVXKHIBSBJA-UHFFFAOYSA-N
XLogP2.20
TPSA90.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.30
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(4-cyanophenyl)-6-[3-(dimethylamino)propylamino]pyridazine-3-carboxamide
CID 109115946
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
N-(3,4-dimethylphenyl)-6-(prop-2-enylamino)pyridazine-3-carboxamide
CID 109110282
6-[(2-chlorophenyl)methylamino]-N-(4-cyanophenyl)pyridazine-3-carboxamide
CID 109119717
N-(4-phenylmethoxyphenyl)-6-(prop-2-enylamino)pyridazine-3-carboxamide
CID 109110344
6-(butan-2-ylamino)-N-(4-cyanophenyl)pyridazine-3-carboxamide
CID 109111531
N-(3-fluorophenyl)-6-(prop-2-enylamino)pyridazine-3-carboxamide
CID 109110345
N-(1,3-benzodioxol-5-yl)-6-(prop-2-enylamino)pyridazine-3-carboxamide
CID 109110351
N-(3-acetylphenyl)-6-(prop-2-enylamino)pyridazine-3-carboxamide
CID 109110326
6-(3-cyanoanilino)-N-(4-cyanophenyl)pyridazine-3-carboxamide
CID 109130370
N-(4-cyanophenyl)-6-[2-(2-methoxyphenyl)ethylamino]pyridazine-3-carboxamide
CID 109122261

Frequently Asked Questions

What is the IUPAC name of N-(4-cyanophenyl)-6-(prop-2-enylamino)pyridazine-3-carboxamide?
The IUPAC name of N-(4-cyanophenyl)-6-(prop-2-enylamino)pyridazine-3-carboxamide (CID 109110375) is N-(4-cyanophenyl)-6-(prop-2-enylamino)pyridazine-3-carboxamide.
What is the SMILES notation for N-(4-cyanophenyl)-6-(prop-2-enylamino)pyridazine-3-carboxamide?
The canonical SMILES for N-(4-cyanophenyl)-6-(prop-2-enylamino)pyridazine-3-carboxamide is C=CCNc1ccc(C(=O)Nc2ccc(C#N)cc2)nn1.
What is the InChIKey of N-(4-cyanophenyl)-6-(prop-2-enylamino)pyridazine-3-carboxamide?
The InChIKey is TVVTVXKHIBSBJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N5O/c1-2-9-17-14-8-7-13(19-20-14)15(21)18-12-5-3-11(10-16)4-6-12/h2-8H,1,9H2,(H,17,20)(H,18,21).
What are the key properties of N-(4-cyanophenyl)-6-(prop-2-enylamino)pyridazine-3-carboxamide?
N-(4-cyanophenyl)-6-(prop-2-enylamino)pyridazine-3-carboxamide has a molecular weight of 279.30 g/mol, XLogP of 2.20, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyanophenyl)-6-(prop-2-enylamino)pyridazine-3-carboxamide is sourced from PubChem (CID 109110375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).