(2S)-2-amino-N-(6-oxo-1H-pyridazin-3-yl)-3-phenylpropanamide

C13H14N4O2 — CID 104893301

IUPAC(2S)-2-amino-N-(6-oxo-1H-pyridazin-3-yl)-3-phenylpropanamide
SMILESN[C@@H](Cc1ccccc1)C(=O)Nc1ccc(=O)[nH]n1
InChIInChI=1S/C13H14N4O2/c14-10(8-9-4-2-1-3-5-9)13(19)15-11-6-7-12(18)17-16-11/h1-7,10H,8,14H2,(H,17,18)(H,15,16,19)/t10-/m0/s1
InChIKeyFZBKTMRECXJFPZ-JTQLQIEISA-N
MW258.28 g/mol
LogP0.28
Rot. Bonds4

About (2S)-2-amino-N-(6-oxo-1H-pyridazin-3-yl)-3-phenylpropanamide

(2S)-2-amino-N-(6-oxo-1H-pyridazin-3-yl)-3-phenylpropanamide (PubChem CID 104893301) has the molecular formula C13H14N4O2 and a molecular weight of 258.28 g/mol. Its IUPAC name is (2S)-2-amino-N-(6-oxo-1H-pyridazin-3-yl)-3-phenylpropanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-(6-oxo-1H-pyridazin-3-yl)-3-phenylpropanamide
PubChem CID104893301
Molecular FormulaC13H14N4O2
Molecular Weight258.28 g/mol
Exact Mass258.11
IUPAC Name(2S)-2-amino-N-(6-oxo-1H-pyridazin-3-yl)-3-phenylpropanamide
SMILESN[C@@H](Cc1ccccc1)C(=O)Nc1ccc(=O)[nH]n1
InChIInChI=1S/C13H14N4O2/c14-10(8-9-4-2-1-3-5-9)13(19)15-11-6-7-12(18)17-16-11/h1-7,10H,8,14H2,(H,17,18)(H,15,16,19)/t10-/m0/s1
InChIKeyFZBKTMRECXJFPZ-JTQLQIEISA-N
XLogP0.28
TPSA100.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.28
LogP ≤ 50.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyano-N-(6-oxo-1H-pyridazin-3-yl)-3-phenylpropanamide
CID 116787076
2-amino-N-(6-oxo-1H-pyridazin-3-yl)hexanamide
CID 104893300
2-amino-N-(1,2-oxazol-3-yl)-3-phenylpropanamide
CID 62903425
(2S)-2-amino-N-(5-bromo-6-methyl-2-pyridinyl)-3-phenylpropanamide
CID 79048264
(2S)-2-amino-N-[(2S)-2-amino-3-phenylpropanoyl]-3-phenylpropanamide
CID 21116073
(2S)-2-amino-N-(5-methyl-1H-pyrazol-4-yl)-3-phenylpropanamide
CID 110837650
2-amino-N-(4-ethyl-1H-pyrazol-5-yl)-3-phenylpropanamide
CID 104619330
(2S)-2-amino-3-((613C)cyclohexatrienyl)propanoic acid
CID 66995721
(2R)-2-amino-N-(2,3,4,5,6-pentamethylphenyl)-3-phenylpropanamide
CID 124864491
2-amino-3-phenyl-N-(1H-pyrazol-5-ylmethyl)propanamide
CID 61285504
(2S)-2-amino-N-(6-fluoro-3-pyridinyl)-3-phenylpropanamide
CID 103794914
(2S)-2-amino-N-(2-methyl-3-pyridinyl)-3-phenylpropanamide
CID 54173969

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-(6-oxo-1H-pyridazin-3-yl)-3-phenylpropanamide?
The IUPAC name of (2S)-2-amino-N-(6-oxo-1H-pyridazin-3-yl)-3-phenylpropanamide (CID 104893301) is (2S)-2-amino-N-(6-oxo-1H-pyridazin-3-yl)-3-phenylpropanamide.
What is the SMILES notation for (2S)-2-amino-N-(6-oxo-1H-pyridazin-3-yl)-3-phenylpropanamide?
The canonical SMILES for (2S)-2-amino-N-(6-oxo-1H-pyridazin-3-yl)-3-phenylpropanamide is N[C@@H](Cc1ccccc1)C(=O)Nc1ccc(=O)[nH]n1.
What is the InChIKey of (2S)-2-amino-N-(6-oxo-1H-pyridazin-3-yl)-3-phenylpropanamide?
The InChIKey is FZBKTMRECXJFPZ-JTQLQIEISA-N. The full InChI is InChI=1S/C13H14N4O2/c14-10(8-9-4-2-1-3-5-9)13(19)15-11-6-7-12(18)17-16-11/h1-7,10H,8,14H2,(H,17,18)(H,15,16,19)/t10-/m0/s1.
What are the key properties of (2S)-2-amino-N-(6-oxo-1H-pyridazin-3-yl)-3-phenylpropanamide?
(2S)-2-amino-N-(6-oxo-1H-pyridazin-3-yl)-3-phenylpropanamide has a molecular weight of 258.28 g/mol, XLogP of 0.28, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-(6-oxo-1H-pyridazin-3-yl)-3-phenylpropanamide is sourced from PubChem (CID 104893301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).