ethane;2-methyl-2-[(6-oxo-1H-pyridin-3-yl)amino]propanenitrile

C11H17N3O — CID 144585006

IUPACethane;2-methyl-2-[(6-oxo-1H-pyridin-3-yl)amino]propanenitrile
SMILESCC.CC(C)(C#N)Nc1ccc(=O)[nH]c1
InChIInChI=1S/C9H11N3O.C2H6/c1-9(2,6-10)12-7-3-4-8(13)11-5-7;1-2/h3-5,12H,1-2H3,(H,11,13);1-2H3
InChIKeySVKVFLYVENNXQN-UHFFFAOYSA-N
MW207.28 g/mol
LogP2.12
Rot. Bonds2

About ethane;2-methyl-2-[(6-oxo-1H-pyridin-3-yl)amino]propanenitrile

ethane;2-methyl-2-[(6-oxo-1H-pyridin-3-yl)amino]propanenitrile (PubChem CID 144585006) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is ethane;2-methyl-2-[(6-oxo-1H-pyridin-3-yl)amino]propanenitrile.

Molecular Properties

Compound Nameethane;2-methyl-2-[(6-oxo-1H-pyridin-3-yl)amino]propanenitrile
PubChem CID144585006
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC Nameethane;2-methyl-2-[(6-oxo-1H-pyridin-3-yl)amino]propanenitrile
SMILESCC.CC(C)(C#N)Nc1ccc(=O)[nH]c1
InChIInChI=1S/C9H11N3O.C2H6/c1-9(2,6-10)12-7-3-4-8(13)11-5-7;1-2/h3-5,12H,1-2H3,(H,11,13);1-2H3
InChIKeySVKVFLYVENNXQN-UHFFFAOYSA-N
XLogP2.12
TPSA68.68 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-chloroanilino)-2-methylpropanenitrile
CID 60719830
2-(4-ethylanilino)-2-methylpropanenitrile
CID 82125457
2-methyl-2-[(3-oxo-4H-1,4-benzoxazin-6-yl)amino]propanenitrile
CID 115129016
2-methyl-2-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)amino]propanenitrile
CID 115129047
2-(4-ethyl-3-fluoroanilino)-2-methylpropanenitrile
CID 123542022
2-(4-ethylsulfanylanilino)-2-methylpropanenitrile
CID 115129026
4-aminophenol;2-(4-hydroxyanilino)-2-methylpropanenitrile
CID 160920367
2-(4-bromo-3-methylanilino)-2-methylpropanenitrile
CID 82131814
2-methyl-2-(3-methylanilino)propanenitrile
CID 60719838
N-(4-cyanophenyl)-6-oxo-1H-pyridine-3-sulfonamide
CID 43629212
ethane;bis(5-methyl-1H-pyridin-2-one)
CID 160548099
N-(6-oxo-1H-pyridin-3-yl)cyclopropanecarboxamide
CID 110724856

Frequently Asked Questions

What is the IUPAC name of ethane;2-methyl-2-[(6-oxo-1H-pyridin-3-yl)amino]propanenitrile?
The IUPAC name of ethane;2-methyl-2-[(6-oxo-1H-pyridin-3-yl)amino]propanenitrile (CID 144585006) is ethane;2-methyl-2-[(6-oxo-1H-pyridin-3-yl)amino]propanenitrile.
What is the SMILES notation for ethane;2-methyl-2-[(6-oxo-1H-pyridin-3-yl)amino]propanenitrile?
The canonical SMILES for ethane;2-methyl-2-[(6-oxo-1H-pyridin-3-yl)amino]propanenitrile is CC.CC(C)(C#N)Nc1ccc(=O)[nH]c1.
What is the InChIKey of ethane;2-methyl-2-[(6-oxo-1H-pyridin-3-yl)amino]propanenitrile?
The InChIKey is SVKVFLYVENNXQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O.C2H6/c1-9(2,6-10)12-7-3-4-8(13)11-5-7;1-2/h3-5,12H,1-2H3,(H,11,13);1-2H3.
What are the key properties of ethane;2-methyl-2-[(6-oxo-1H-pyridin-3-yl)amino]propanenitrile?
ethane;2-methyl-2-[(6-oxo-1H-pyridin-3-yl)amino]propanenitrile has a molecular weight of 207.28 g/mol, XLogP of 2.12, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-methyl-2-[(6-oxo-1H-pyridin-3-yl)amino]propanenitrile is sourced from PubChem (CID 144585006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).