2-[(6-cyano-2-pyridinyl)-methylamino]-N-(2,6-dimethylphenyl)acetamide

C17H18N4O — CID 133334372

IUPAC2-[(6-cyano-2-pyridinyl)-methylamino]-N-(2,6-dimethylphenyl)acetamide
SMILESCc1cccc(C)c1NC(=O)CN(C)c1cccc(C#N)n1
InChIInChI=1S/C17H18N4O/c1-12-6-4-7-13(2)17(12)20-16(22)11-21(3)15-9-5-8-14(10-18)19-15/h4-9H,11H2,1-3H3,(H,20,22)
InChIKeyDTDSGXZBBYNQHI-UHFFFAOYSA-N
MW294.36 g/mol
LogP2.65
Rot. Bonds4

About 2-[(6-cyano-2-pyridinyl)-methylamino]-N-(2,6-dimethylphenyl)acetamide

2-[(6-cyano-2-pyridinyl)-methylamino]-N-(2,6-dimethylphenyl)acetamide (PubChem CID 133334372) has the molecular formula C17H18N4O and a molecular weight of 294.36 g/mol. Its IUPAC name is 2-[(6-cyano-2-pyridinyl)-methylamino]-N-(2,6-dimethylphenyl)acetamide.

Molecular Properties

Compound Name2-[(6-cyano-2-pyridinyl)-methylamino]-N-(2,6-dimethylphenyl)acetamide
PubChem CID133334372
Molecular FormulaC17H18N4O
Molecular Weight294.36 g/mol
Exact Mass294.15
IUPAC Name2-[(6-cyano-2-pyridinyl)-methylamino]-N-(2,6-dimethylphenyl)acetamide
SMILESCc1cccc(C)c1NC(=O)CN(C)c1cccc(C#N)n1
InChIInChI=1S/C17H18N4O/c1-12-6-4-7-13(2)17(12)20-16(22)11-21(3)15-9-5-8-14(10-18)19-15/h4-9H,11H2,1-3H3,(H,20,22)
InChIKeyDTDSGXZBBYNQHI-UHFFFAOYSA-N
XLogP2.65
TPSA69.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.36
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(6-cyano-2-pyridinyl)-methylamino]acetic acid
CID 64587752
3-[(6-cyano-2-pyridinyl)-methylamino]-N,2-dimethylpropanamide
CID 113248913
2-[[2-(4-cyanophenoxy)acetyl]-methylamino]-N-(2,6-dimethylphenyl)acetamide
CID 26619648
6-[amino(methyl)amino]pyridine-2-carbonitrile
CID 53404430
N-(2,6-dimethylphenyl)-2-[methyl-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)amino]acetamide
CID 133334438
6-[3-aminopropyl(methyl)amino]pyridine-2-carbonitrile
CID 115319464
2-(4-cyanophenoxy)-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methylpropanamide
CID 51144723
2-[[5-(diethylsulfamoyl)-2-pyridinyl]-methylamino]-N-(2,6-dimethylphenyl)acetamide
CID 9195255
2-[(6-chloro-2-ethyl-5-methylpyrimidin-4-yl)-methylamino]-N-(2,6-dimethylphenyl)acetamide
CID 133334392
2-[[2-[(3-cyano-4,5-dimethylfuran-2-yl)amino]-2-oxoethyl]-methylamino]-N-(2,6-dimethylphenyl)acetamide
CID 43054288
(2S)-2-amino-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N,3,3-trimethylbutanamide
CID 119683115
bis(2-(diethylamino)-N-(2,6-dimethylphenyl)acetamide);dihydrochloride
CID 69335483

Frequently Asked Questions

What is the IUPAC name of 2-[(6-cyano-2-pyridinyl)-methylamino]-N-(2,6-dimethylphenyl)acetamide?
The IUPAC name of 2-[(6-cyano-2-pyridinyl)-methylamino]-N-(2,6-dimethylphenyl)acetamide (CID 133334372) is 2-[(6-cyano-2-pyridinyl)-methylamino]-N-(2,6-dimethylphenyl)acetamide.
What is the SMILES notation for 2-[(6-cyano-2-pyridinyl)-methylamino]-N-(2,6-dimethylphenyl)acetamide?
The canonical SMILES for 2-[(6-cyano-2-pyridinyl)-methylamino]-N-(2,6-dimethylphenyl)acetamide is Cc1cccc(C)c1NC(=O)CN(C)c1cccc(C#N)n1.
What is the InChIKey of 2-[(6-cyano-2-pyridinyl)-methylamino]-N-(2,6-dimethylphenyl)acetamide?
The InChIKey is DTDSGXZBBYNQHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O/c1-12-6-4-7-13(2)17(12)20-16(22)11-21(3)15-9-5-8-14(10-18)19-15/h4-9H,11H2,1-3H3,(H,20,22).
What are the key properties of 2-[(6-cyano-2-pyridinyl)-methylamino]-N-(2,6-dimethylphenyl)acetamide?
2-[(6-cyano-2-pyridinyl)-methylamino]-N-(2,6-dimethylphenyl)acetamide has a molecular weight of 294.36 g/mol, XLogP of 2.65, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-cyano-2-pyridinyl)-methylamino]-N-(2,6-dimethylphenyl)acetamide is sourced from PubChem (CID 133334372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).