2-amino-N-[(6-methoxypyridazin-3-yl)methyl]-3-methylbutanamide

C11H18N4O2 — CID 77144650

IUPAC2-amino-N-[(6-methoxypyridazin-3-yl)methyl]-3-methylbutanamide
SMILESCOc1ccc(CNC(=O)C(N)C(C)C)nn1
InChIInChI=1S/C11H18N4O2/c1-7(2)10(12)11(16)13-6-8-4-5-9(17-3)15-14-8/h4-5,7,10H,6,12H2,1-3H3,(H,13,16)
InChIKeyIREBFCKXWVGBHW-UHFFFAOYSA-N
MW238.29 g/mol
LogP0.08
Rot. Bonds5

About 2-amino-N-[(6-methoxypyridazin-3-yl)methyl]-3-methylbutanamide

2-amino-N-[(6-methoxypyridazin-3-yl)methyl]-3-methylbutanamide (PubChem CID 77144650) has the molecular formula C11H18N4O2 and a molecular weight of 238.29 g/mol. Its IUPAC name is 2-amino-N-[(6-methoxypyridazin-3-yl)methyl]-3-methylbutanamide.

Molecular Properties

Compound Name2-amino-N-[(6-methoxypyridazin-3-yl)methyl]-3-methylbutanamide
PubChem CID77144650
Molecular FormulaC11H18N4O2
Molecular Weight238.29 g/mol
Exact Mass238.14
IUPAC Name2-amino-N-[(6-methoxypyridazin-3-yl)methyl]-3-methylbutanamide
SMILESCOc1ccc(CNC(=O)C(N)C(C)C)nn1
InChIInChI=1S/C11H18N4O2/c1-7(2)10(12)11(16)13-6-8-4-5-9(17-3)15-14-8/h4-5,7,10H,6,12H2,1-3H3,(H,13,16)
InChIKeyIREBFCKXWVGBHW-UHFFFAOYSA-N
XLogP0.08
TPSA90.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 50.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-2-amino-N-[(2-methoxy-3-pyridinyl)methyl]-3-methylbutanamide
CID 79012949
(2S)-2-amino-N-[(4-methoxyphenyl)methyl]-3-methylbutanamide
CID 22690639
2-amino-3-methyl-N-[(6-methyl-2-pyridinyl)methyl]butanamide
CID 62307698
(2S)-2-amino-3-methyl-N-[(1-methylpyrazol-3-yl)methyl]butanamide
CID 82882870
methyl 2-[[(2-amino-3-methylbutanoyl)amino]methyl]-1,3-thiazole-4-carboxylate
CID 110481468
(2R)-2-amino-N-[(3-methoxyphenyl)methyl]-3-methylbutanamide
CID 79013389
(2S)-2-amino-N-benzyl-3-methylbutanamide
CID 11063601
2-amino-N-benzyl-3-methylbutanamide
CID 14404632
2-amino-3-methyl-N-[(2,4,5-trimethoxyphenyl)methyl]butanamide;hydrochloride
CID 119271866
(2R)-N-[(4-acetamidophenyl)methyl]-2-amino-3-methylbutanamide
CID 79012217
(2S)-2-amino-N-[(6-bromo-3-pyridinyl)methyl]-3-methylbutanamide
CID 66568601
2-[2-[[[(2S)-2-amino-3-methylbutanoyl]amino]methyl]phenyl]acetic acid
CID 81318494

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(6-methoxypyridazin-3-yl)methyl]-3-methylbutanamide?
The IUPAC name of 2-amino-N-[(6-methoxypyridazin-3-yl)methyl]-3-methylbutanamide (CID 77144650) is 2-amino-N-[(6-methoxypyridazin-3-yl)methyl]-3-methylbutanamide.
What is the SMILES notation for 2-amino-N-[(6-methoxypyridazin-3-yl)methyl]-3-methylbutanamide?
The canonical SMILES for 2-amino-N-[(6-methoxypyridazin-3-yl)methyl]-3-methylbutanamide is COc1ccc(CNC(=O)C(N)C(C)C)nn1.
What is the InChIKey of 2-amino-N-[(6-methoxypyridazin-3-yl)methyl]-3-methylbutanamide?
The InChIKey is IREBFCKXWVGBHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O2/c1-7(2)10(12)11(16)13-6-8-4-5-9(17-3)15-14-8/h4-5,7,10H,6,12H2,1-3H3,(H,13,16).
What are the key properties of 2-amino-N-[(6-methoxypyridazin-3-yl)methyl]-3-methylbutanamide?
2-amino-N-[(6-methoxypyridazin-3-yl)methyl]-3-methylbutanamide has a molecular weight of 238.29 g/mol, XLogP of 0.08, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(6-methoxypyridazin-3-yl)methyl]-3-methylbutanamide is sourced from PubChem (CID 77144650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).