N-methyl-3-oxo-2-[(2E,3Z)-2-prop-2-enylidenehexa-3,5-dienyl]pyridazine-4-carboxamide

C15H17N3O2 — CID 143536580

IUPACN-methyl-3-oxo-2-[(2E,3Z)-2-prop-2-enylidenehexa-3,5-dienyl]pyridazine-4-carboxamide
SMILESC=C/C=C\C(=C/C=C)Cn1nccc(C(=O)NC)c1=O
InChIInChI=1S/C15H17N3O2/c1-4-6-8-12(7-5-2)11-18-15(20)13(9-10-17-18)14(19)16-3/h4-10H,1-2,11H2,3H3,(H,16,19)/b8-6-,12-7+
InChIKeyQYUKZQPGRLDDSJ-LQNKLOEDSA-N
MW271.32 g/mol
LogP1.46
Rot. Bonds6

About N-methyl-3-oxo-2-[(2E,3Z)-2-prop-2-enylidenehexa-3,5-dienyl]pyridazine-4-carboxamide

N-methyl-3-oxo-2-[(2E,3Z)-2-prop-2-enylidenehexa-3,5-dienyl]pyridazine-4-carboxamide (PubChem CID 143536580) has the molecular formula C15H17N3O2 and a molecular weight of 271.32 g/mol. Its IUPAC name is N-methyl-3-oxo-2-[(2E,3Z)-2-prop-2-enylidenehexa-3,5-dienyl]pyridazine-4-carboxamide.

Molecular Properties

Compound NameN-methyl-3-oxo-2-[(2E,3Z)-2-prop-2-enylidenehexa-3,5-dienyl]pyridazine-4-carboxamide
PubChem CID143536580
Molecular FormulaC15H17N3O2
Molecular Weight271.32 g/mol
Exact Mass271.13
IUPAC NameN-methyl-3-oxo-2-[(2E,3Z)-2-prop-2-enylidenehexa-3,5-dienyl]pyridazine-4-carboxamide
SMILESC=C/C=C\C(=C/C=C)Cn1nccc(C(=O)NC)c1=O
InChIInChI=1S/C15H17N3O2/c1-4-6-8-12(7-5-2)11-18-15(20)13(9-10-17-18)14(19)16-3/h4-10H,1-2,11H2,3H3,(H,16,19)/b8-6-,12-7+
InChIKeyQYUKZQPGRLDDSJ-LQNKLOEDSA-N
XLogP1.46
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-methyl-3-oxo-2-[(2E,3Z)-2-prop-2-enylidenehexa-3,5-dienyl]pyridazine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-oxo-2-[(2E,3Z)-2-prop-2-enylidenehexa-3,5-dienyl]pyridazine-4-carboxamide?
The IUPAC name of N-methyl-3-oxo-2-[(2E,3Z)-2-prop-2-enylidenehexa-3,5-dienyl]pyridazine-4-carboxamide (CID 143536580) is N-methyl-3-oxo-2-[(2E,3Z)-2-prop-2-enylidenehexa-3,5-dienyl]pyridazine-4-carboxamide.
What is the SMILES notation for N-methyl-3-oxo-2-[(2E,3Z)-2-prop-2-enylidenehexa-3,5-dienyl]pyridazine-4-carboxamide?
The canonical SMILES for N-methyl-3-oxo-2-[(2E,3Z)-2-prop-2-enylidenehexa-3,5-dienyl]pyridazine-4-carboxamide is C=C/C=C\C(=C/C=C)Cn1nccc(C(=O)NC)c1=O.
What is the InChIKey of N-methyl-3-oxo-2-[(2E,3Z)-2-prop-2-enylidenehexa-3,5-dienyl]pyridazine-4-carboxamide?
The InChIKey is QYUKZQPGRLDDSJ-LQNKLOEDSA-N. The full InChI is InChI=1S/C15H17N3O2/c1-4-6-8-12(7-5-2)11-18-15(20)13(9-10-17-18)14(19)16-3/h4-10H,1-2,11H2,3H3,(H,16,19)/b8-6-,12-7+.
What are the key properties of N-methyl-3-oxo-2-[(2E,3Z)-2-prop-2-enylidenehexa-3,5-dienyl]pyridazine-4-carboxamide?
N-methyl-3-oxo-2-[(2E,3Z)-2-prop-2-enylidenehexa-3,5-dienyl]pyridazine-4-carboxamide has a molecular weight of 271.32 g/mol, XLogP of 1.46, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-oxo-2-[(2E,3Z)-2-prop-2-enylidenehexa-3,5-dienyl]pyridazine-4-carboxamide is sourced from PubChem (CID 143536580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).