2,5-dimethyl-N-(4-methyl-3-pyridazin-3-ylphenyl)cyclopent-3-ene-1-carboxamide

C19H21N3O — CID 169175933

IUPAC2,5-dimethyl-N-(4-methyl-3-pyridazin-3-ylphenyl)cyclopent-3-ene-1-carboxamide
SMILESCc1ccc(NC(=O)C2C(C)C=CC2C)cc1-c1cccnn1
InChIInChI=1S/C19H21N3O/c1-12-8-9-15(11-16(12)17-5-4-10-20-22-17)21-19(23)18-13(2)6-7-14(18)3/h4-11,13-14,18H,1-3H3,(H,21,23)
InChIKeySPYSFZSRYONJNO-UHFFFAOYSA-N
MW307.40 g/mol
LogP3.85
Rot. Bonds3

About 2,5-dimethyl-N-(4-methyl-3-pyridazin-3-ylphenyl)cyclopent-3-ene-1-carboxamide

2,5-dimethyl-N-(4-methyl-3-pyridazin-3-ylphenyl)cyclopent-3-ene-1-carboxamide (PubChem CID 169175933) has the molecular formula C19H21N3O and a molecular weight of 307.40 g/mol. Its IUPAC name is 2,5-dimethyl-N-(4-methyl-3-pyridazin-3-ylphenyl)cyclopent-3-ene-1-carboxamide.

Molecular Properties

Compound Name2,5-dimethyl-N-(4-methyl-3-pyridazin-3-ylphenyl)cyclopent-3-ene-1-carboxamide
PubChem CID169175933
Molecular FormulaC19H21N3O
Molecular Weight307.40 g/mol
Exact Mass307.17
IUPAC Name2,5-dimethyl-N-(4-methyl-3-pyridazin-3-ylphenyl)cyclopent-3-ene-1-carboxamide
SMILESCc1ccc(NC(=O)C2C(C)C=CC2C)cc1-c1cccnn1
InChIInChI=1S/C19H21N3O/c1-12-8-9-15(11-16(12)17-5-4-10-20-22-17)21-19(23)18-13(2)6-7-14(18)3/h4-11,13-14,18H,1-3H3,(H,21,23)
InChIKeySPYSFZSRYONJNO-UHFFFAOYSA-N
XLogP3.85
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.40
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

molecular hydrogen;trans-(1R,2R)-2-methyl-N-(4-methyl-3-pyridazin-3-ylphenyl)cyclopropane-1-carboxamide
CID 169175957
6,6-difluoro-N-(4-methyl-3-pyridazin-3-ylphenyl)bicyclo[3.1.0]hexane-3-carboxamide
CID 175945753
1-cyclobutyl-N-(4-methyl-3-pyridazin-3-ylphenyl)cyclopropane-1-carboxamide
CID 169177102
ethane;N-(4-methyl-3-pyridazin-3-ylphenyl)formamide;molecular hydrogen
CID 169176261
ethane;N-(4-methyl-3-pyridazin-3-ylphenyl)formamide;molecular hydrogen;pyridine
CID 169176012
N-(4-methyl-3-pyridin-2-ylphenyl)spiro[2.3]hexane-5-carboxamide
CID 169176404
N-(4-methyl-3-pyridin-2-ylphenyl)-2-(trifluoromethyl)cyclopropane-1-carboxamide
CID 169175846
(1S)-N-(4-methyl-3-pyridin-2-ylphenyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 176763932
N-(3-bromo-4-methylphenyl)pyridazine-3-carboxamide
CID 110859766
2,5-dimethyl-4-pyridazin-3-ylbenzaldehyde
CID 165456747
tert-butyl 7-[(4-methyl-3-pyridin-2-ylphenyl)carbamoyl]-2-azabicyclo[2.2.1]heptane-2-carboxylate
CID 169175921
2-cyclobutyl-N-(4-methyl-3-pyridin-2-ylphenyl)acetamide
CID 169175816

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-N-(4-methyl-3-pyridazin-3-ylphenyl)cyclopent-3-ene-1-carboxamide?
The IUPAC name of 2,5-dimethyl-N-(4-methyl-3-pyridazin-3-ylphenyl)cyclopent-3-ene-1-carboxamide (CID 169175933) is 2,5-dimethyl-N-(4-methyl-3-pyridazin-3-ylphenyl)cyclopent-3-ene-1-carboxamide.
What is the SMILES notation for 2,5-dimethyl-N-(4-methyl-3-pyridazin-3-ylphenyl)cyclopent-3-ene-1-carboxamide?
The canonical SMILES for 2,5-dimethyl-N-(4-methyl-3-pyridazin-3-ylphenyl)cyclopent-3-ene-1-carboxamide is Cc1ccc(NC(=O)C2C(C)C=CC2C)cc1-c1cccnn1.
What is the InChIKey of 2,5-dimethyl-N-(4-methyl-3-pyridazin-3-ylphenyl)cyclopent-3-ene-1-carboxamide?
The InChIKey is SPYSFZSRYONJNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O/c1-12-8-9-15(11-16(12)17-5-4-10-20-22-17)21-19(23)18-13(2)6-7-14(18)3/h4-11,13-14,18H,1-3H3,(H,21,23).
What are the key properties of 2,5-dimethyl-N-(4-methyl-3-pyridazin-3-ylphenyl)cyclopent-3-ene-1-carboxamide?
2,5-dimethyl-N-(4-methyl-3-pyridazin-3-ylphenyl)cyclopent-3-ene-1-carboxamide has a molecular weight of 307.40 g/mol, XLogP of 3.85, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-N-(4-methyl-3-pyridazin-3-ylphenyl)cyclopent-3-ene-1-carboxamide is sourced from PubChem (CID 169175933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).