N-[(2S)-butan-2-yl]-1-methyl-6-oxopyridazine-3-carboxamide

C10H15N3O2 — CID 42443185

IUPACN-[(2S)-butan-2-yl]-1-methyl-6-oxopyridazine-3-carboxamide
SMILESCC[C@H](C)NC(=O)c1ccc(=O)n(C)n1
InChIInChI=1S/C10H15N3O2/c1-4-7(2)11-10(15)8-5-6-9(14)13(3)12-8/h5-7H,4H2,1-3H3,(H,11,15)/t7-/m0/s1
InChIKeyQNGHGXMMZDBVAI-ZETCQYMHSA-N
MW209.25 g/mol
LogP0.31
Rot. Bonds3

About N-[(2S)-butan-2-yl]-1-methyl-6-oxopyridazine-3-carboxamide

N-[(2S)-butan-2-yl]-1-methyl-6-oxopyridazine-3-carboxamide (PubChem CID 42443185) has the molecular formula C10H15N3O2 and a molecular weight of 209.25 g/mol. Its IUPAC name is N-[(2S)-butan-2-yl]-1-methyl-6-oxopyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[(2S)-butan-2-yl]-1-methyl-6-oxopyridazine-3-carboxamide
PubChem CID42443185
Molecular FormulaC10H15N3O2
Molecular Weight209.25 g/mol
Exact Mass209.12
IUPAC NameN-[(2S)-butan-2-yl]-1-methyl-6-oxopyridazine-3-carboxamide
SMILESCC[C@H](C)NC(=O)c1ccc(=O)n(C)n1
InChIInChI=1S/C10H15N3O2/c1-4-7(2)11-10(15)8-5-6-9(14)13(3)12-8/h5-7H,4H2,1-3H3,(H,11,15)/t7-/m0/s1
InChIKeyQNGHGXMMZDBVAI-ZETCQYMHSA-N
XLogP0.31
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 50.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-hydroxybutan-2-yl)-1-methyl-6-oxopyridazine-3-carboxamide
CID 81041108
N-[(2S)-butan-2-yl]-1-methylpyrazole-3-carboxamide
CID 35763828
N-[(2R)-butan-2-yl]-1-methylpyrazole-3-carboxamide
CID 35763827
1-methyl-N-[1-(4-methylphenyl)propyl]-6-oxopyridazine-3-carboxamide
CID 78777843
4-methyl-2-[(1-methyl-6-oxopyridazine-3-carbonyl)amino]pentanoic acid
CID 43091764
(2R)-2-[(1-methyl-6-oxopyridazine-3-carbonyl)amino]pentanoic acid
CID 107562869
2-[[(1-methyl-6-oxopyridazine-3-carbonyl)amino]methyl]butanoic acid
CID 65219750
N-butan-2-yl-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide
CID 19267656
6-oxo-N-pentan-3-yl-1-propylpyridazine-3-carboxamide
CID 78784702
N-(3-hydroxy-2-methylbutan-2-yl)-1-methyl-6-oxopyridazine-3-carboxamide
CID 115884570
(2S)-4-amino-2-[(1-methyl-6-oxopyridazine-3-carbonyl)amino]-4-oxobutanoic acid
CID 61142499
N-[(1R)-2-hydroxy-1-phenylethyl]-1-methyl-6-oxopyridazine-3-carboxamide
CID 103772693

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-butan-2-yl]-1-methyl-6-oxopyridazine-3-carboxamide?
The IUPAC name of N-[(2S)-butan-2-yl]-1-methyl-6-oxopyridazine-3-carboxamide (CID 42443185) is N-[(2S)-butan-2-yl]-1-methyl-6-oxopyridazine-3-carboxamide.
What is the SMILES notation for N-[(2S)-butan-2-yl]-1-methyl-6-oxopyridazine-3-carboxamide?
The canonical SMILES for N-[(2S)-butan-2-yl]-1-methyl-6-oxopyridazine-3-carboxamide is CC[C@H](C)NC(=O)c1ccc(=O)n(C)n1.
What is the InChIKey of N-[(2S)-butan-2-yl]-1-methyl-6-oxopyridazine-3-carboxamide?
The InChIKey is QNGHGXMMZDBVAI-ZETCQYMHSA-N. The full InChI is InChI=1S/C10H15N3O2/c1-4-7(2)11-10(15)8-5-6-9(14)13(3)12-8/h5-7H,4H2,1-3H3,(H,11,15)/t7-/m0/s1.
What are the key properties of N-[(2S)-butan-2-yl]-1-methyl-6-oxopyridazine-3-carboxamide?
N-[(2S)-butan-2-yl]-1-methyl-6-oxopyridazine-3-carboxamide has a molecular weight of 209.25 g/mol, XLogP of 0.31, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-butan-2-yl]-1-methyl-6-oxopyridazine-3-carboxamide is sourced from PubChem (CID 42443185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).