2-amino-2-methyl-N-(pyridazin-3-ylmethyl)pentanamide

C11H18N4O — CID 106896146

IUPAC2-amino-2-methyl-N-(pyridazin-3-ylmethyl)pentanamide
SMILESCCCC(C)(N)C(=O)NCc1cccnn1
InChIInChI=1S/C11H18N4O/c1-3-6-11(2,12)10(16)13-8-9-5-4-7-14-15-9/h4-5,7H,3,6,8,12H2,1-2H3,(H,13,16)
InChIKeyQQTCMHWXUCEOBI-UHFFFAOYSA-N
MW222.29 g/mol
LogP0.61
Rot. Bonds5

About 2-amino-2-methyl-N-(pyridazin-3-ylmethyl)pentanamide

2-amino-2-methyl-N-(pyridazin-3-ylmethyl)pentanamide (PubChem CID 106896146) has the molecular formula C11H18N4O and a molecular weight of 222.29 g/mol. Its IUPAC name is 2-amino-2-methyl-N-(pyridazin-3-ylmethyl)pentanamide.

Molecular Properties

Compound Name2-amino-2-methyl-N-(pyridazin-3-ylmethyl)pentanamide
PubChem CID106896146
Molecular FormulaC11H18N4O
Molecular Weight222.29 g/mol
Exact Mass222.15
IUPAC Name2-amino-2-methyl-N-(pyridazin-3-ylmethyl)pentanamide
SMILESCCCC(C)(N)C(=O)NCc1cccnn1
InChIInChI=1S/C11H18N4O/c1-3-6-11(2,12)10(16)13-8-9-5-4-7-14-15-9/h4-5,7H,3,6,8,12H2,1-2H3,(H,13,16)
InChIKeyQQTCMHWXUCEOBI-UHFFFAOYSA-N
XLogP0.61
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-2-methyl-N-(pyridazin-3-ylmethyl)butanamide
CID 106896008
3-amino-2,2-dimethyl-N-(pyridazin-3-ylmethyl)propanamide
CID 106895482
3-amino-2,2-dimethyl-N-(pyridazin-3-ylmethyl)-3-sulfanylidenepropanamide
CID 106896266
2-amino-2-methyl-N-(2-pyridin-2-ylethyl)pentanamide
CID 60846982
2-amino-2-methyl-N-(pyridin-3-ylmethyl)pentanamide
CID 60848389
2-(tert-butylamino)-N-(pyridazin-3-ylmethyl)acetamide
CID 106834522
2-amino-3,3-dimethyl-N-(pyridazin-3-ylmethyl)butanamide
CID 106896139
2-amino-2-methyl-N-(1,2-oxazol-3-ylmethyl)pentanamide
CID 81171219
(2R)-2-amino-N-(pyridazin-3-ylmethyl)pentanamide
CID 107570944
2-(propylamino)-N-(pyridazin-3-ylmethyl)acetamide
CID 106896058
N-(pyridazin-3-ylmethyl)azetidine-3-carboxamide
CID 106896192
2-(ethylamino)-N-(pyridazin-3-ylmethyl)acetamide
CID 106896183

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-methyl-N-(pyridazin-3-ylmethyl)pentanamide?
The IUPAC name of 2-amino-2-methyl-N-(pyridazin-3-ylmethyl)pentanamide (CID 106896146) is 2-amino-2-methyl-N-(pyridazin-3-ylmethyl)pentanamide.
What is the SMILES notation for 2-amino-2-methyl-N-(pyridazin-3-ylmethyl)pentanamide?
The canonical SMILES for 2-amino-2-methyl-N-(pyridazin-3-ylmethyl)pentanamide is CCCC(C)(N)C(=O)NCc1cccnn1.
What is the InChIKey of 2-amino-2-methyl-N-(pyridazin-3-ylmethyl)pentanamide?
The InChIKey is QQTCMHWXUCEOBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O/c1-3-6-11(2,12)10(16)13-8-9-5-4-7-14-15-9/h4-5,7H,3,6,8,12H2,1-2H3,(H,13,16).
What are the key properties of 2-amino-2-methyl-N-(pyridazin-3-ylmethyl)pentanamide?
2-amino-2-methyl-N-(pyridazin-3-ylmethyl)pentanamide has a molecular weight of 222.29 g/mol, XLogP of 0.61, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-methyl-N-(pyridazin-3-ylmethyl)pentanamide is sourced from PubChem (CID 106896146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).