N-tert-butyl-2-[(6-cyano-3-pyridinyl)-methylamino]acetamide

C13H18N4O — CID 133358596

IUPACN-tert-butyl-2-[(6-cyano-3-pyridinyl)-methylamino]acetamide
SMILESCN(CC(=O)NC(C)(C)C)c1ccc(C#N)nc1
InChIInChI=1S/C13H18N4O/c1-13(2,3)16-12(18)9-17(4)11-6-5-10(7-14)15-8-11/h5-6,8H,9H2,1-4H3,(H,16,18)
InChIKeyQWSSIELPEIAZCV-UHFFFAOYSA-N
MW246.31 g/mol
LogP1.30
Rot. Bonds3

About N-tert-butyl-2-[(6-cyano-3-pyridinyl)-methylamino]acetamide

N-tert-butyl-2-[(6-cyano-3-pyridinyl)-methylamino]acetamide (PubChem CID 133358596) has the molecular formula C13H18N4O and a molecular weight of 246.31 g/mol. Its IUPAC name is N-tert-butyl-2-[(6-cyano-3-pyridinyl)-methylamino]acetamide.

Molecular Properties

Compound NameN-tert-butyl-2-[(6-cyano-3-pyridinyl)-methylamino]acetamide
PubChem CID133358596
Molecular FormulaC13H18N4O
Molecular Weight246.31 g/mol
Exact Mass246.15
IUPAC NameN-tert-butyl-2-[(6-cyano-3-pyridinyl)-methylamino]acetamide
SMILESCN(CC(=O)NC(C)(C)C)c1ccc(C#N)nc1
InChIInChI=1S/C13H18N4O/c1-13(2,3)16-12(18)9-17(4)11-6-5-10(7-14)15-8-11/h5-6,8H,9H2,1-4H3,(H,16,18)
InChIKeyQWSSIELPEIAZCV-UHFFFAOYSA-N
XLogP1.30
TPSA69.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-tert-butyl-2-(4-cyano-N-methylanilino)acetamide
CID 60724445
2-[(6-cyano-3-pyridinyl)-methylamino]-N-(3,5-difluorophenyl)acetamide
CID 99789948
2-[(6-cyano-3-pyridinyl)-methylamino]-N-(3,4-dichlorophenyl)acetamide
CID 133352459
tert-butyl N-[2-[(6-cyano-3-pyridinyl)-methylamino]ethyl]-N-methylcarbamate
CID 86781803
5-[methyl(3,3,3-trifluoropropyl)amino]pyridine-2-carbonitrile
CID 115487744
5-[2-cyanopropyl(methyl)amino]pyridine-2-carbonitrile
CID 115487373
methyl 2-[(6-cyano-3-pyridinyl)-ethylamino]acetate
CID 115487597
5-[2-aminopropyl(methyl)amino]pyridine-2-carbonitrile
CID 130563574
5-[ethyl-(2-hydroxy-2-methylpropyl)amino]pyridine-2-carbonitrile
CID 115487766
2-[[6-(aminomethyl)-3-pyridinyl]-methylamino]-N-methylacetamide
CID 115486849
5-[methyl-[(2-methylcyclopropyl)methyl]amino]pyridine-2-carbonitrile
CID 115487708
5-[methyl-[2-(methylamino)-2-oxoethyl]amino]pyridine-2-carboxylic acid
CID 104638770

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[(6-cyano-3-pyridinyl)-methylamino]acetamide?
The IUPAC name of N-tert-butyl-2-[(6-cyano-3-pyridinyl)-methylamino]acetamide (CID 133358596) is N-tert-butyl-2-[(6-cyano-3-pyridinyl)-methylamino]acetamide.
What is the SMILES notation for N-tert-butyl-2-[(6-cyano-3-pyridinyl)-methylamino]acetamide?
The canonical SMILES for N-tert-butyl-2-[(6-cyano-3-pyridinyl)-methylamino]acetamide is CN(CC(=O)NC(C)(C)C)c1ccc(C#N)nc1.
What is the InChIKey of N-tert-butyl-2-[(6-cyano-3-pyridinyl)-methylamino]acetamide?
The InChIKey is QWSSIELPEIAZCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O/c1-13(2,3)16-12(18)9-17(4)11-6-5-10(7-14)15-8-11/h5-6,8H,9H2,1-4H3,(H,16,18).
What are the key properties of N-tert-butyl-2-[(6-cyano-3-pyridinyl)-methylamino]acetamide?
N-tert-butyl-2-[(6-cyano-3-pyridinyl)-methylamino]acetamide has a molecular weight of 246.31 g/mol, XLogP of 1.30, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[(6-cyano-3-pyridinyl)-methylamino]acetamide is sourced from PubChem (CID 133358596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).