6-chloro-N-[cyclopropyl(phenyl)methyl]pyridazine-3-carboxamide

C15H14ClN3O — CID 61041207

IUPAC6-chloro-N-[cyclopropyl(phenyl)methyl]pyridazine-3-carboxamide
SMILESO=C(NC(c1ccccc1)C1CC1)c1ccc(Cl)nn1
InChIInChI=1S/C15H14ClN3O/c16-13-9-8-12(18-19-13)15(20)17-14(11-6-7-11)10-4-2-1-3-5-10/h1-5,8-9,11,14H,6-7H2,(H,17,20)
InChIKeyHKHXTXBFXYBLFX-UHFFFAOYSA-N
MW287.75 g/mol
LogP3.01
Rot. Bonds4

About 6-chloro-N-[cyclopropyl(phenyl)methyl]pyridazine-3-carboxamide

6-chloro-N-[cyclopropyl(phenyl)methyl]pyridazine-3-carboxamide (PubChem CID 61041207) has the molecular formula C15H14ClN3O and a molecular weight of 287.75 g/mol. Its IUPAC name is 6-chloro-N-[cyclopropyl(phenyl)methyl]pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-chloro-N-[cyclopropyl(phenyl)methyl]pyridazine-3-carboxamide
PubChem CID61041207
Molecular FormulaC15H14ClN3O
Molecular Weight287.75 g/mol
Exact Mass287.08
IUPAC Name6-chloro-N-[cyclopropyl(phenyl)methyl]pyridazine-3-carboxamide
SMILESO=C(NC(c1ccccc1)C1CC1)c1ccc(Cl)nn1
InChIInChI=1S/C15H14ClN3O/c16-13-9-8-12(18-19-13)15(20)17-14(11-6-7-11)10-4-2-1-3-5-10/h1-5,8-9,11,14H,6-7H2,(H,17,20)
InChIKeyHKHXTXBFXYBLFX-UHFFFAOYSA-N
XLogP3.01
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.75
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[cyclopropyl(phenyl)methyl]-5-methylpyrazine-2-carboxamide
CID 42929264
N-[(4-chlorophenyl)-cyclopropylmethyl]benzamide
CID 17494418
6-chloro-N-(1-cyclohexylethyl)pyridazine-3-carboxamide
CID 55069123
6-chloro-N-[(2R)-2-hydroxy-2-phenylethyl]pyridazine-3-carboxamide
CID 87178650
3-bromo-2-chloro-N-[cyclopropyl(phenyl)methyl]benzamide
CID 103982987
N-[cyclopropyl(phenyl)methyl]-2-methylbenzamide
CID 51295877
5-chloro-N-[cyclopropyl-(4-methylphenyl)methyl]pyridine-2-carboxamide
CID 86975241
6-chloro-N-[1-(2-fluorophenyl)ethyl]pyridazine-3-carboxamide
CID 61041832
N-[(S)-cyclopropyl(phenyl)methyl]-5-propyl-1H-pyrazole-3-carboxamide
CID 97122450
N-[cyclopropyl(phenyl)methyl]prop-2-enamide
CID 43616558
6-chloro-N-cyclobutylpyridazine-3-carboxamide
CID 62416339
4-[4-[[cyclopropyl(phenyl)methyl]carbamoyl]phenoxy]benzamide
CID 56545703

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[cyclopropyl(phenyl)methyl]pyridazine-3-carboxamide?
The IUPAC name of 6-chloro-N-[cyclopropyl(phenyl)methyl]pyridazine-3-carboxamide (CID 61041207) is 6-chloro-N-[cyclopropyl(phenyl)methyl]pyridazine-3-carboxamide.
What is the SMILES notation for 6-chloro-N-[cyclopropyl(phenyl)methyl]pyridazine-3-carboxamide?
The canonical SMILES for 6-chloro-N-[cyclopropyl(phenyl)methyl]pyridazine-3-carboxamide is O=C(NC(c1ccccc1)C1CC1)c1ccc(Cl)nn1.
What is the InChIKey of 6-chloro-N-[cyclopropyl(phenyl)methyl]pyridazine-3-carboxamide?
The InChIKey is HKHXTXBFXYBLFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClN3O/c16-13-9-8-12(18-19-13)15(20)17-14(11-6-7-11)10-4-2-1-3-5-10/h1-5,8-9,11,14H,6-7H2,(H,17,20).
What are the key properties of 6-chloro-N-[cyclopropyl(phenyl)methyl]pyridazine-3-carboxamide?
6-chloro-N-[cyclopropyl(phenyl)methyl]pyridazine-3-carboxamide has a molecular weight of 287.75 g/mol, XLogP of 3.01, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[cyclopropyl(phenyl)methyl]pyridazine-3-carboxamide is sourced from PubChem (CID 61041207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).