(2S)-2-(3-chlorophenyl)-N-(5-methylpyridazin-4-yl)butanamide

C15H16ClN3O — CID 169408176

IUPAC(2S)-2-(3-chlorophenyl)-N-(5-methylpyridazin-4-yl)butanamide
SMILESCC[C@H](C(=O)Nc1cnncc1C)c1cccc(Cl)c1
InChIInChI=1S/C15H16ClN3O/c1-3-13(11-5-4-6-12(16)7-11)15(20)19-14-9-18-17-8-10(14)2/h4-9,13H,3H2,1-2H3,(H,17,19,20)/t13-/m0/s1
InChIKeyAATSBPIJUYIMKX-ZDUSSCGKSA-N
MW289.77 g/mol
LogP3.57
Rot. Bonds4

About (2S)-2-(3-chlorophenyl)-N-(5-methylpyridazin-4-yl)butanamide

(2S)-2-(3-chlorophenyl)-N-(5-methylpyridazin-4-yl)butanamide (PubChem CID 169408176) has the molecular formula C15H16ClN3O and a molecular weight of 289.77 g/mol. Its IUPAC name is (2S)-2-(3-chlorophenyl)-N-(5-methylpyridazin-4-yl)butanamide.

Molecular Properties

Compound Name(2S)-2-(3-chlorophenyl)-N-(5-methylpyridazin-4-yl)butanamide
PubChem CID169408176
Molecular FormulaC15H16ClN3O
Molecular Weight289.77 g/mol
Exact Mass289.10
IUPAC Name(2S)-2-(3-chlorophenyl)-N-(5-methylpyridazin-4-yl)butanamide
SMILESCC[C@H](C(=O)Nc1cnncc1C)c1cccc(Cl)c1
InChIInChI=1S/C15H16ClN3O/c1-3-13(11-5-4-6-12(16)7-11)15(20)19-14-9-18-17-8-10(14)2/h4-9,13H,3H2,1-2H3,(H,17,19,20)/t13-/m0/s1
InChIKeyAATSBPIJUYIMKX-ZDUSSCGKSA-N
XLogP3.57
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 ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-(3-chlorophenyl)-N-(5-methylpyridazin-4-yl)butanamide?
The IUPAC name of (2S)-2-(3-chlorophenyl)-N-(5-methylpyridazin-4-yl)butanamide (CID 169408176) is (2S)-2-(3-chlorophenyl)-N-(5-methylpyridazin-4-yl)butanamide.
What is the SMILES notation for (2S)-2-(3-chlorophenyl)-N-(5-methylpyridazin-4-yl)butanamide?
The canonical SMILES for (2S)-2-(3-chlorophenyl)-N-(5-methylpyridazin-4-yl)butanamide is CC[C@H](C(=O)Nc1cnncc1C)c1cccc(Cl)c1.
What is the InChIKey of (2S)-2-(3-chlorophenyl)-N-(5-methylpyridazin-4-yl)butanamide?
The InChIKey is AATSBPIJUYIMKX-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H16ClN3O/c1-3-13(11-5-4-6-12(16)7-11)15(20)19-14-9-18-17-8-10(14)2/h4-9,13H,3H2,1-2H3,(H,17,19,20)/t13-/m0/s1.
What are the key properties of (2S)-2-(3-chlorophenyl)-N-(5-methylpyridazin-4-yl)butanamide?
(2S)-2-(3-chlorophenyl)-N-(5-methylpyridazin-4-yl)butanamide has a molecular weight of 289.77 g/mol, XLogP of 3.57, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(3-chlorophenyl)-N-(5-methylpyridazin-4-yl)butanamide is sourced from PubChem (CID 169408176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).