(2S)-2-amino-N-(6-chloropyridazin-3-yl)-4-phenylbutanamide

C14H15ClN4O — CID 104984882

IUPAC(2S)-2-amino-N-(6-chloropyridazin-3-yl)-4-phenylbutanamide
SMILESN[C@@H](CCc1ccccc1)C(=O)Nc1ccc(Cl)nn1
InChIInChI=1S/C14H15ClN4O/c15-12-8-9-13(19-18-12)17-14(20)11(16)7-6-10-4-2-1-3-5-10/h1-5,8-9,11H,6-7,16H2,(H,17,19,20)/t11-/m0/s1
InChIKeyBDAXEYKAZYVDNX-NSHDSACASA-N
MW290.75 g/mol
LogP2.03
Rot. Bonds5

About (2S)-2-amino-N-(6-chloropyridazin-3-yl)-4-phenylbutanamide

(2S)-2-amino-N-(6-chloropyridazin-3-yl)-4-phenylbutanamide (PubChem CID 104984882) has the molecular formula C14H15ClN4O and a molecular weight of 290.75 g/mol. Its IUPAC name is (2S)-2-amino-N-(6-chloropyridazin-3-yl)-4-phenylbutanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-(6-chloropyridazin-3-yl)-4-phenylbutanamide
PubChem CID104984882
Molecular FormulaC14H15ClN4O
Molecular Weight290.75 g/mol
Exact Mass290.09
IUPAC Name(2S)-2-amino-N-(6-chloropyridazin-3-yl)-4-phenylbutanamide
SMILESN[C@@H](CCc1ccccc1)C(=O)Nc1ccc(Cl)nn1
InChIInChI=1S/C14H15ClN4O/c15-12-8-9-13(19-18-12)17-14(20)11(16)7-6-10-4-2-1-3-5-10/h1-5,8-9,11H,6-7,16H2,(H,17,19,20)/t11-/m0/s1
InChIKeyBDAXEYKAZYVDNX-NSHDSACASA-N
XLogP2.03
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.75
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-amino-N-(5-chloro-2-pyridinyl)-4-phenylbutanamide
CID 104983845
(2S)-2-amino-4-phenyl-N-pyridazin-3-ylbutanamide
CID 104984888
2-amino-N-(2-chlorophenyl)-4-phenylbutanamide
CID 114924914
(2S)-2-amino-N-(3,5-dichlorophenyl)-4-phenylbutanamide
CID 104983740
2-amino-N-(5-methyl-1,2-oxazol-3-yl)-4-phenylbutanamide
CID 114924652
(2S)-2-amino-N-(4-chloro-3-pyridinyl)-4-phenylbutanamide
CID 104984746
2-amino-N-(2-chloro-6-methylphenyl)-4-phenylbutanamide
CID 114928777
(2S)-2-amino-N-[4-(4-chlorophenoxy)phenyl]-4-phenylbutanamide
CID 67010614
2-amino-N-(2-amino-2-oxoethyl)-4-phenylbutanamide
CID 114924624
(2S)-2-amino-N-(1H-imidazol-2-yl)-4-phenylbutanamide
CID 104984386
N-(6-chloropyridazin-3-yl)-3-(2-methylphenyl)propanamide
CID 115624553
N-(6-chloropyridazin-3-yl)benzamide
CID 13125576

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-(6-chloropyridazin-3-yl)-4-phenylbutanamide?
The IUPAC name of (2S)-2-amino-N-(6-chloropyridazin-3-yl)-4-phenylbutanamide (CID 104984882) is (2S)-2-amino-N-(6-chloropyridazin-3-yl)-4-phenylbutanamide.
What is the SMILES notation for (2S)-2-amino-N-(6-chloropyridazin-3-yl)-4-phenylbutanamide?
The canonical SMILES for (2S)-2-amino-N-(6-chloropyridazin-3-yl)-4-phenylbutanamide is N[C@@H](CCc1ccccc1)C(=O)Nc1ccc(Cl)nn1.
What is the InChIKey of (2S)-2-amino-N-(6-chloropyridazin-3-yl)-4-phenylbutanamide?
The InChIKey is BDAXEYKAZYVDNX-NSHDSACASA-N. The full InChI is InChI=1S/C14H15ClN4O/c15-12-8-9-13(19-18-12)17-14(20)11(16)7-6-10-4-2-1-3-5-10/h1-5,8-9,11H,6-7,16H2,(H,17,19,20)/t11-/m0/s1.
What are the key properties of (2S)-2-amino-N-(6-chloropyridazin-3-yl)-4-phenylbutanamide?
(2S)-2-amino-N-(6-chloropyridazin-3-yl)-4-phenylbutanamide has a molecular weight of 290.75 g/mol, XLogP of 2.03, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-(6-chloropyridazin-3-yl)-4-phenylbutanamide is sourced from PubChem (CID 104984882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).