N-[(4-pyridazin-3-ylphenyl)methyl]prop-2-enamide

C14H13N3O — CID 66913132

IUPACN-[(4-pyridazin-3-ylphenyl)methyl]prop-2-enamide
SMILESC=CC(=O)NCc1ccc(-c2cccnn2)cc1
InChIInChI=1S/C14H13N3O/c1-2-14(18)15-10-11-5-7-12(8-6-11)13-4-3-9-16-17-13/h2-9H,1,10H2,(H,15,18)
InChIKeyWWPJWNQKKMRCMH-UHFFFAOYSA-N
MW239.28 g/mol
LogP1.95
Rot. Bonds4

About N-[(4-pyridazin-3-ylphenyl)methyl]prop-2-enamide

N-[(4-pyridazin-3-ylphenyl)methyl]prop-2-enamide (PubChem CID 66913132) has the molecular formula C14H13N3O and a molecular weight of 239.28 g/mol. Its IUPAC name is N-[(4-pyridazin-3-ylphenyl)methyl]prop-2-enamide.

Molecular Properties

Compound NameN-[(4-pyridazin-3-ylphenyl)methyl]prop-2-enamide
PubChem CID66913132
Molecular FormulaC14H13N3O
Molecular Weight239.28 g/mol
Exact Mass239.11
IUPAC NameN-[(4-pyridazin-3-ylphenyl)methyl]prop-2-enamide
SMILESC=CC(=O)NCc1ccc(-c2cccnn2)cc1
InChIInChI=1S/C14H13N3O/c1-2-14(18)15-10-11-5-7-12(8-6-11)13-4-3-9-16-17-13/h2-9H,1,10H2,(H,15,18)
InChIKeyWWPJWNQKKMRCMH-UHFFFAOYSA-N
XLogP1.95
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

6-pyridazin-3-yl-1H-quinolin-2-one
CID 14220994
6-pyridazin-4-yl-1H-quinolin-2-one
CID 14220995
5-((4-Fluorophenyl)(pyridazin-3-yl)methyl)pyrrolidin-2-one
CID 168301448
N-{[5-(4-methylphenyl)-1H-pyrazol-4-yl]methyl}acetamide
CID 50847165
(E)-3-[(1S)-2,2-bis(3-fluorophenyl)cyclopropyl]-N-(4-pyridazin-3-ylbutyl)prop-2-enamide
CID 22840504
(E)-3-[(1S)-2,2-bis(4-fluorophenyl)cyclopropyl]-N-(4-pyridazin-3-ylbutyl)prop-2-enamide
CID 22840527
3-[(1S)-2,2-bis(3-fluorophenyl)cyclopropyl]-N-(4-pyridazin-3-ylbutyl)prop-2-enamide
CID 56983371
3-[(1S)-2,2-bis(4-fluorophenyl)cyclopropyl]-N-(4-pyridazin-3-ylbutyl)prop-2-enamide
CID 57211146
2,3,6-Trifluoro-N-(3-pyridazinylmethyl)benzeneacetamide
CID 58425671
N-[2-(2-fluorophenyl)ethyl]pyridazine-4-carboxamide
CID 90865962
N-[2-(3-fluorophenyl)ethyl]pyridazine-4-carboxamide
CID 90931901
N-[2-(2-fluorophenyl)ethyl]pyridazine-3-carboxamide
CID 110852466

Frequently Asked Questions

What is the IUPAC name of N-[(4-pyridazin-3-ylphenyl)methyl]prop-2-enamide?
The IUPAC name of N-[(4-pyridazin-3-ylphenyl)methyl]prop-2-enamide (CID 66913132) is N-[(4-pyridazin-3-ylphenyl)methyl]prop-2-enamide.
What is the SMILES notation for N-[(4-pyridazin-3-ylphenyl)methyl]prop-2-enamide?
The canonical SMILES for N-[(4-pyridazin-3-ylphenyl)methyl]prop-2-enamide is C=CC(=O)NCc1ccc(-c2cccnn2)cc1.
What is the InChIKey of N-[(4-pyridazin-3-ylphenyl)methyl]prop-2-enamide?
The InChIKey is WWPJWNQKKMRCMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O/c1-2-14(18)15-10-11-5-7-12(8-6-11)13-4-3-9-16-17-13/h2-9H,1,10H2,(H,15,18).
What are the key properties of N-[(4-pyridazin-3-ylphenyl)methyl]prop-2-enamide?
N-[(4-pyridazin-3-ylphenyl)methyl]prop-2-enamide has a molecular weight of 239.28 g/mol, XLogP of 1.95, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-pyridazin-3-ylphenyl)methyl]prop-2-enamide is sourced from PubChem (CID 66913132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).