2-amino-N-(5-methyl-3-pyridinyl)-2-(oxan-4-yl)acetamide;dihydrochloride

C13H21Cl2N3O2 — CID 120800459

IUPAC2-amino-N-(5-methyl-3-pyridinyl)-2-(oxan-4-yl)acetamide;dihydrochloride
SMILESCc1cncc(NC(=O)C(N)C2CCOCC2)c1.Cl.Cl
InChIInChI=1S/C13H19N3O2.2ClH/c1-9-6-11(8-15-7-9)16-13(17)12(14)10-2-4-18-5-3-10;;/h6-8,10,12H,2-5,14H2,1H3,(H,16,17);2*1H
InChIKeyHXKZLQWNCHGHSM-UHFFFAOYSA-N
MW322.24 g/mol
LogP1.93
Rot. Bonds3

About 2-amino-N-(5-methyl-3-pyridinyl)-2-(oxan-4-yl)acetamide;dihydrochloride

2-amino-N-(5-methyl-3-pyridinyl)-2-(oxan-4-yl)acetamide;dihydrochloride (PubChem CID 120800459) has the molecular formula C13H21Cl2N3O2 and a molecular weight of 322.24 g/mol. Its IUPAC name is 2-amino-N-(5-methyl-3-pyridinyl)-2-(oxan-4-yl)acetamide;dihydrochloride.

Molecular Properties

Compound Name2-amino-N-(5-methyl-3-pyridinyl)-2-(oxan-4-yl)acetamide;dihydrochloride
PubChem CID120800459
Molecular FormulaC13H21Cl2N3O2
Molecular Weight322.24 g/mol
Exact Mass321.10
IUPAC Name2-amino-N-(5-methyl-3-pyridinyl)-2-(oxan-4-yl)acetamide;dihydrochloride
SMILESCc1cncc(NC(=O)C(N)C2CCOCC2)c1.Cl.Cl
InChIInChI=1S/C13H19N3O2.2ClH/c1-9-6-11(8-15-7-9)16-13(17)12(14)10-2-4-18-5-3-10;;/h6-8,10,12H,2-5,14H2,1H3,(H,16,17);2*1H
InChIKeyHXKZLQWNCHGHSM-UHFFFAOYSA-N
XLogP1.93
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.24
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-(3-methylphenyl)-2-(oxan-4-yl)acetamide
CID 120782660
2-amino-N-(3,5-dimethoxyphenyl)-2-(oxan-4-yl)acetamide;hydrochloride
CID 120782987
N-(3-acetamidophenyl)-2-amino-2-(oxan-4-yl)acetamide;hydrochloride
CID 120782773
(2S)-2-amino-3-methyl-N-(5-methyl-3-pyridinyl)butanamide;dihydrochloride
CID 119884719
2-amino-N-(4-methyl-2-pyridinyl)-2-(oxan-4-yl)acetamide;dihydrochloride
CID 120796743
2-amino-N-(3,5-difluoro-4-trimethylsilylphenyl)-2-(oxan-4-yl)acetamide
CID 140781478
2-amino-N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]-2-(oxan-4-yl)acetamide;hydrochloride
CID 120785281
2-amino-N-(3-iodo-4-methylphenyl)-2-(oxan-4-yl)acetamide
CID 120783594
2-amino-N-(4-methyl-3-sulfamoylphenyl)-2-(oxan-4-yl)acetamide;hydrochloride
CID 120784349
2-amino-N-(5-methyl-3-pyridinyl)butanediamide
CID 103827807
2-amino-N-(2,5-dimethylpyrazol-3-yl)-2-(oxan-4-yl)acetamide
CID 120783566
2-amino-N-(2,5-dimethylphenyl)-2-(oxan-4-yl)acetamide
CID 120782547

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(5-methyl-3-pyridinyl)-2-(oxan-4-yl)acetamide;dihydrochloride?
The IUPAC name of 2-amino-N-(5-methyl-3-pyridinyl)-2-(oxan-4-yl)acetamide;dihydrochloride (CID 120800459) is 2-amino-N-(5-methyl-3-pyridinyl)-2-(oxan-4-yl)acetamide;dihydrochloride.
What is the SMILES notation for 2-amino-N-(5-methyl-3-pyridinyl)-2-(oxan-4-yl)acetamide;dihydrochloride?
The canonical SMILES for 2-amino-N-(5-methyl-3-pyridinyl)-2-(oxan-4-yl)acetamide;dihydrochloride is Cc1cncc(NC(=O)C(N)C2CCOCC2)c1.Cl.Cl.
What is the InChIKey of 2-amino-N-(5-methyl-3-pyridinyl)-2-(oxan-4-yl)acetamide;dihydrochloride?
The InChIKey is HXKZLQWNCHGHSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2.2ClH/c1-9-6-11(8-15-7-9)16-13(17)12(14)10-2-4-18-5-3-10;;/h6-8,10,12H,2-5,14H2,1H3,(H,16,17);2*1H.
What are the key properties of 2-amino-N-(5-methyl-3-pyridinyl)-2-(oxan-4-yl)acetamide;dihydrochloride?
2-amino-N-(5-methyl-3-pyridinyl)-2-(oxan-4-yl)acetamide;dihydrochloride has a molecular weight of 322.24 g/mol, XLogP of 1.93, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(5-methyl-3-pyridinyl)-2-(oxan-4-yl)acetamide;dihydrochloride is sourced from PubChem (CID 120800459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).