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

C10H16N4O2 — CID 104893316

IUPAC(2S)-2-amino-3-methyl-N-(6-oxo-1H-pyridazin-3-yl)pentanamide
SMILESCCC(C)[C@H](N)C(=O)Nc1ccc(=O)[nH]n1
InChIInChI=1S/C10H16N4O2/c1-3-6(2)9(11)10(16)12-7-4-5-8(15)14-13-7/h4-6,9H,3,11H2,1-2H3,(H,14,15)(H,12,13,16)/t6?,9-/m0/s1
InChIKeyKFUUMTQKDRRFOV-HSOSERFQSA-N
MW224.26 g/mol
LogP0.08
Rot. Bonds4

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

(2S)-2-amino-3-methyl-N-(6-oxo-1H-pyridazin-3-yl)pentanamide (PubChem CID 104893316) has the molecular formula C10H16N4O2 and a molecular weight of 224.26 g/mol. Its IUPAC name is (2S)-2-amino-3-methyl-N-(6-oxo-1H-pyridazin-3-yl)pentanamide.

Molecular Properties

Compound Name(2S)-2-amino-3-methyl-N-(6-oxo-1H-pyridazin-3-yl)pentanamide
PubChem CID104893316
Molecular FormulaC10H16N4O2
Molecular Weight224.26 g/mol
Exact Mass224.13
IUPAC Name(2S)-2-amino-3-methyl-N-(6-oxo-1H-pyridazin-3-yl)pentanamide
SMILESCCC(C)[C@H](N)C(=O)Nc1ccc(=O)[nH]n1
InChIInChI=1S/C10H16N4O2/c1-3-6(2)9(11)10(16)12-7-4-5-8(15)14-13-7/h4-6,9H,3,11H2,1-2H3,(H,14,15)(H,12,13,16)/t6?,9-/m0/s1
InChIKeyKFUUMTQKDRRFOV-HSOSERFQSA-N
XLogP0.08
TPSA100.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 50.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-(4-methylpiperidin-1-yl)-6-oxopyridazin-1(6H)-yl]-N-(propan-2-yl)acetamide
CID 52899252
(2S)-2-[(2-cyclohexylacetyl)amino]-N-(6-oxo-1H-pyridazin-3-yl)propanamide
CID 99840146
(2R)-2-[(2-cyclohexylacetyl)amino]-N-(6-oxo-1H-pyridazin-3-yl)propanamide
CID 99840147
3-methyl-N-(6-oxo-1H-pyridazin-3-yl)pyrrolidine-2-carboxamide
CID 102780140
(2R)-2-amino-3-methyl-N-(6-oxo-1H-pyridazin-3-yl)butanamide
CID 104893293
(2R)-2-amino-3,3-dimethyl-N-(6-oxo-1H-pyridazin-3-yl)butanamide
CID 104893295
(2S)-2-amino-3-methyl-N-(6-oxo-1H-pyridazin-3-yl)butanamide
CID 104893298
2-amino-N-(6-oxo-1H-pyridazin-3-yl)pentanamide
CID 104893299
2-amino-N-(6-oxo-1H-pyridazin-3-yl)hexanamide
CID 104893300
(2S)-2-amino-N-(6-oxo-1H-pyridazin-3-yl)butanamide
CID 104893302
(2S)-2-amino-3,3-dimethyl-N-(6-oxo-1H-pyridazin-3-yl)butanamide
CID 104893304
(2S)-2-amino-4-methyl-N-(6-oxo-1H-pyridazin-3-yl)pentanamide
CID 104893305

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-methyl-N-(6-oxo-1H-pyridazin-3-yl)pentanamide?
The IUPAC name of (2S)-2-amino-3-methyl-N-(6-oxo-1H-pyridazin-3-yl)pentanamide (CID 104893316) is (2S)-2-amino-3-methyl-N-(6-oxo-1H-pyridazin-3-yl)pentanamide.
What is the SMILES notation for (2S)-2-amino-3-methyl-N-(6-oxo-1H-pyridazin-3-yl)pentanamide?
The canonical SMILES for (2S)-2-amino-3-methyl-N-(6-oxo-1H-pyridazin-3-yl)pentanamide is CCC(C)[C@H](N)C(=O)Nc1ccc(=O)[nH]n1.
What is the InChIKey of (2S)-2-amino-3-methyl-N-(6-oxo-1H-pyridazin-3-yl)pentanamide?
The InChIKey is KFUUMTQKDRRFOV-HSOSERFQSA-N. The full InChI is InChI=1S/C10H16N4O2/c1-3-6(2)9(11)10(16)12-7-4-5-8(15)14-13-7/h4-6,9H,3,11H2,1-2H3,(H,14,15)(H,12,13,16)/t6?,9-/m0/s1.
What are the key properties of (2S)-2-amino-3-methyl-N-(6-oxo-1H-pyridazin-3-yl)pentanamide?
(2S)-2-amino-3-methyl-N-(6-oxo-1H-pyridazin-3-yl)pentanamide has a molecular weight of 224.26 g/mol, XLogP of 0.08, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-methyl-N-(6-oxo-1H-pyridazin-3-yl)pentanamide is sourced from PubChem (CID 104893316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).