1-cyclobutyl-N-(4-methyl-3-pyridazin-3-ylphenyl)cyclopropane-1-carboxamide

C19H21N3O — CID 169177102

IUPAC1-cyclobutyl-N-(4-methyl-3-pyridazin-3-ylphenyl)cyclopropane-1-carboxamide
SMILESCc1ccc(NC(=O)C2(C3CCC3)CC2)cc1-c1cccnn1
InChIInChI=1S/C19H21N3O/c1-13-7-8-15(12-16(13)17-6-3-11-20-22-17)21-18(23)19(9-10-19)14-4-2-5-14/h3,6-8,11-12,14H,2,4-5,9-10H2,1H3,(H,21,23)
InChIKeyDIKCJELPVPXOCP-UHFFFAOYSA-N
MW307.40 g/mol
LogP3.97
Rot. Bonds4

About 1-cyclobutyl-N-(4-methyl-3-pyridazin-3-ylphenyl)cyclopropane-1-carboxamide

1-cyclobutyl-N-(4-methyl-3-pyridazin-3-ylphenyl)cyclopropane-1-carboxamide (PubChem CID 169177102) has the molecular formula C19H21N3O and a molecular weight of 307.40 g/mol. Its IUPAC name is 1-cyclobutyl-N-(4-methyl-3-pyridazin-3-ylphenyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-cyclobutyl-N-(4-methyl-3-pyridazin-3-ylphenyl)cyclopropane-1-carboxamide
PubChem CID169177102
Molecular FormulaC19H21N3O
Molecular Weight307.40 g/mol
Exact Mass307.17
IUPAC Name1-cyclobutyl-N-(4-methyl-3-pyridazin-3-ylphenyl)cyclopropane-1-carboxamide
SMILESCc1ccc(NC(=O)C2(C3CCC3)CC2)cc1-c1cccnn1
InChIInChI=1S/C19H21N3O/c1-13-7-8-15(12-16(13)17-6-3-11-20-22-17)21-18(23)19(9-10-19)14-4-2-5-14/h3,6-8,11-12,14H,2,4-5,9-10H2,1H3,(H,21,23)
InChIKeyDIKCJELPVPXOCP-UHFFFAOYSA-N
XLogP3.97
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.40
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-cyclobutyl-N-(4-methyl-3-pyridazin-3-ylphenyl)cyclopropane-1-carboxamide?
The IUPAC name of 1-cyclobutyl-N-(4-methyl-3-pyridazin-3-ylphenyl)cyclopropane-1-carboxamide (CID 169177102) is 1-cyclobutyl-N-(4-methyl-3-pyridazin-3-ylphenyl)cyclopropane-1-carboxamide.
What is the SMILES notation for 1-cyclobutyl-N-(4-methyl-3-pyridazin-3-ylphenyl)cyclopropane-1-carboxamide?
The canonical SMILES for 1-cyclobutyl-N-(4-methyl-3-pyridazin-3-ylphenyl)cyclopropane-1-carboxamide is Cc1ccc(NC(=O)C2(C3CCC3)CC2)cc1-c1cccnn1.
What is the InChIKey of 1-cyclobutyl-N-(4-methyl-3-pyridazin-3-ylphenyl)cyclopropane-1-carboxamide?
The InChIKey is DIKCJELPVPXOCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O/c1-13-7-8-15(12-16(13)17-6-3-11-20-22-17)21-18(23)19(9-10-19)14-4-2-5-14/h3,6-8,11-12,14H,2,4-5,9-10H2,1H3,(H,21,23).
What are the key properties of 1-cyclobutyl-N-(4-methyl-3-pyridazin-3-ylphenyl)cyclopropane-1-carboxamide?
1-cyclobutyl-N-(4-methyl-3-pyridazin-3-ylphenyl)cyclopropane-1-carboxamide has a molecular weight of 307.40 g/mol, XLogP of 3.97, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclobutyl-N-(4-methyl-3-pyridazin-3-ylphenyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 169177102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).