(2S)-2-(4-chlorophenyl)-3-methyl-N-pyridazin-3-ylbutanamide

C15H16ClN3O — CID 46226161

IUPAC(2S)-2-(4-chlorophenyl)-3-methyl-N-pyridazin-3-ylbutanamide
SMILESCC(C)[C@H](C(=O)Nc1cccnn1)c1ccc(Cl)cc1
InChIInChI=1S/C15H16ClN3O/c1-10(2)14(11-5-7-12(16)8-6-11)15(20)18-13-4-3-9-17-19-13/h3-10,14H,1-2H3,(H,18,19,20)/t14-/m0/s1
InChIKeyDYKQXHLDYNKKKR-AWEZNQCLSA-N
MW289.77 g/mol
LogP3.51
Rot. Bonds4

About (2S)-2-(4-chlorophenyl)-3-methyl-N-pyridazin-3-ylbutanamide

(2S)-2-(4-chlorophenyl)-3-methyl-N-pyridazin-3-ylbutanamide (PubChem CID 46226161) has the molecular formula C15H16ClN3O and a molecular weight of 289.77 g/mol. Its IUPAC name is (2S)-2-(4-chlorophenyl)-3-methyl-N-pyridazin-3-ylbutanamide.

Molecular Properties

Compound Name(2S)-2-(4-chlorophenyl)-3-methyl-N-pyridazin-3-ylbutanamide
PubChem CID46226161
Molecular FormulaC15H16ClN3O
Molecular Weight289.77 g/mol
Exact Mass289.10
IUPAC Name(2S)-2-(4-chlorophenyl)-3-methyl-N-pyridazin-3-ylbutanamide
SMILESCC(C)[C@H](C(=O)Nc1cccnn1)c1ccc(Cl)cc1
InChIInChI=1S/C15H16ClN3O/c1-10(2)14(11-5-7-12(16)8-6-11)15(20)18-13-4-3-9-17-19-13/h3-10,14H,1-2H3,(H,18,19,20)/t14-/m0/s1
InChIKeyDYKQXHLDYNKKKR-AWEZNQCLSA-N
XLogP3.51
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.77
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-2-[4-(dimethylamino)phenyl]acetamide
CID 118560401
N-(1-benzylpyrazol-3-yl)-2-(4-chlorophenyl)acetamide
CID 35537998
5-{[3-(4-chlorophenyl)azepan-1-yl]carbonyl}-N-methylpyridazin-3-amine
CID 117858296
2-(3-chlorophenyl)-N-(phthalazin-1-yl)acetamide
CID 154873539
2-(3-chlorophenyl)-N-(4-methylpyridazin-3-yl)acetamide
CID 154875995
(S)-2-(4-chlorophenyl)-3-methyl-N-(1H-pyrazol-3-yl)butanamide
CID 46226178
2-(2-Chloro-6-fluorophenyl)-1-[4-(pyridazin-3-ylamino)piperidin-1-yl]ethanone
CID 53601797
N-(6-chloro-5-phenylpyridazin-3-yl)benzamide
CID 71579985
2-methyl-N-pyridazin-3-ylbenzamide
CID 118707923
US9926282, Example 30
CID 145995140
2-(4-chlorophenyl)-N-(1-ethyl-1H-pyrazol-5-yl)acetamide
CID 16447327
2-(4-chlorophenyl)-N-(6-(methylthio)pyridazin-3-yl)acetamide
CID 42172347

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4-chlorophenyl)-3-methyl-N-pyridazin-3-ylbutanamide?
The IUPAC name of (2S)-2-(4-chlorophenyl)-3-methyl-N-pyridazin-3-ylbutanamide (CID 46226161) is (2S)-2-(4-chlorophenyl)-3-methyl-N-pyridazin-3-ylbutanamide.
What is the SMILES notation for (2S)-2-(4-chlorophenyl)-3-methyl-N-pyridazin-3-ylbutanamide?
The canonical SMILES for (2S)-2-(4-chlorophenyl)-3-methyl-N-pyridazin-3-ylbutanamide is CC(C)[C@H](C(=O)Nc1cccnn1)c1ccc(Cl)cc1.
What is the InChIKey of (2S)-2-(4-chlorophenyl)-3-methyl-N-pyridazin-3-ylbutanamide?
The InChIKey is DYKQXHLDYNKKKR-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H16ClN3O/c1-10(2)14(11-5-7-12(16)8-6-11)15(20)18-13-4-3-9-17-19-13/h3-10,14H,1-2H3,(H,18,19,20)/t14-/m0/s1.
What are the key properties of (2S)-2-(4-chlorophenyl)-3-methyl-N-pyridazin-3-ylbutanamide?
(2S)-2-(4-chlorophenyl)-3-methyl-N-pyridazin-3-ylbutanamide has a molecular weight of 289.77 g/mol, XLogP of 3.51, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(4-chlorophenyl)-3-methyl-N-pyridazin-3-ylbutanamide is sourced from PubChem (CID 46226161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).