2-methyl-N-(3-phenylpyridazin-4-yl)prop-2-enamide

C14H13N3O — CID 70533187

IUPAC2-methyl-N-(3-phenylpyridazin-4-yl)prop-2-enamide
SMILESC=C(C)C(=O)Nc1ccnnc1-c1ccccc1
InChIInChI=1S/C14H13N3O/c1-10(2)14(18)16-12-8-9-15-17-13(12)11-6-4-3-5-7-11/h3-9H,1H2,2H3,(H,15,16,18)
InChIKeyLUPHCDXMJXECNE-UHFFFAOYSA-N
MW239.28 g/mol
LogP2.66
Rot. Bonds3

About 2-methyl-N-(3-phenylpyridazin-4-yl)prop-2-enamide

2-methyl-N-(3-phenylpyridazin-4-yl)prop-2-enamide (PubChem CID 70533187) has the molecular formula C14H13N3O and a molecular weight of 239.28 g/mol. Its IUPAC name is 2-methyl-N-(3-phenylpyridazin-4-yl)prop-2-enamide.

Molecular Properties

Compound Name2-methyl-N-(3-phenylpyridazin-4-yl)prop-2-enamide
PubChem CID70533187
Molecular FormulaC14H13N3O
Molecular Weight239.28 g/mol
Exact Mass239.11
IUPAC Name2-methyl-N-(3-phenylpyridazin-4-yl)prop-2-enamide
SMILESC=C(C)C(=O)Nc1ccnnc1-c1ccccc1
InChIInChI=1S/C14H13N3O/c1-10(2)14(18)16-12-8-9-15-17-13(12)11-6-4-3-5-7-11/h3-9H,1H2,2H3,(H,15,16,18)
InChIKeyLUPHCDXMJXECNE-UHFFFAOYSA-N
XLogP2.66
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 52.66
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

8-(2,4-difluorophenyl)-3-(2,4-difluorophenylamino)-1-methylpyrido[3,2-d]pyridazin-2(1H)-one
CID 46185428
N-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxamide
CID 5297225
8-(2,4-Difluorophenyl)-3-(4-fluorophenylamino)-1-methylpyrido-[3,2-d]pyridazin-2(1H)-one
CID 46185682
N-(1,3-diphenylpyrazol-4-yl)acetamide
CID 2319248
N-[4-(1-pentylpyrazol-3-yl)phenyl]prop-2-enamide
CID 166924888
6-pyridazin-3-yl-1H-quinolin-2-one
CID 14220994
(2S)-2-amino-N-(1,3-diphenylpyrazol-4-yl)propanamide
CID 46204447
N-(1-benzylpyrazol-4-yl)prop-2-enamide
CID 54867190
N-(1,3-Dimethylpyrazol-4-YL)-2-[1-(2-phenylacetyl)piperidin-4-YL]acetamide
CID 92634156
N-(1,3-Dimethylpyrazol-4-YL)-2-[1-(2-phenylethyl)piperidin-4-YL]acetamide
CID 92634157
N-phenyl-3-(3-phenylpyrazol-1-yl)propanamide
CID 155548249
N-[4-(trifluoromethyl)phenyl]pyridazine-3-carboxamide
CID 5297226

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(3-phenylpyridazin-4-yl)prop-2-enamide?
The IUPAC name of 2-methyl-N-(3-phenylpyridazin-4-yl)prop-2-enamide (CID 70533187) is 2-methyl-N-(3-phenylpyridazin-4-yl)prop-2-enamide.
What is the SMILES notation for 2-methyl-N-(3-phenylpyridazin-4-yl)prop-2-enamide?
The canonical SMILES for 2-methyl-N-(3-phenylpyridazin-4-yl)prop-2-enamide is C=C(C)C(=O)Nc1ccnnc1-c1ccccc1.
What is the InChIKey of 2-methyl-N-(3-phenylpyridazin-4-yl)prop-2-enamide?
The InChIKey is LUPHCDXMJXECNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O/c1-10(2)14(18)16-12-8-9-15-17-13(12)11-6-4-3-5-7-11/h3-9H,1H2,2H3,(H,15,16,18).
What are the key properties of 2-methyl-N-(3-phenylpyridazin-4-yl)prop-2-enamide?
2-methyl-N-(3-phenylpyridazin-4-yl)prop-2-enamide has a molecular weight of 239.28 g/mol, XLogP of 2.66, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(3-phenylpyridazin-4-yl)prop-2-enamide is sourced from PubChem (CID 70533187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).