2-[(5-cyano-2-pyridinyl)-methylamino]-N-(4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl)acetamide

C21H24N4O — CID 102555556

IUPAC2-[(5-cyano-2-pyridinyl)-methylamino]-N-(4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl)acetamide
SMILESCN(CC(=O)NC1CCC(C)(C)c2ccccc21)c1ccc(C#N)cn1
InChIInChI=1S/C21H24N4O/c1-21(2)11-10-18(16-6-4-5-7-17(16)21)24-20(26)14-25(3)19-9-8-15(12-22)13-23-19/h4-9,13,18H,10-11,14H2,1-3H3,(H,24,26)
InChIKeyLUGMCKNKNGNCAL-UHFFFAOYSA-N
MW348.45 g/mol
LogP3.32
Rot. Bonds4

About 2-[(5-cyano-2-pyridinyl)-methylamino]-N-(4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl)acetamide

2-[(5-cyano-2-pyridinyl)-methylamino]-N-(4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl)acetamide (PubChem CID 102555556) has the molecular formula C21H24N4O and a molecular weight of 348.45 g/mol. Its IUPAC name is 2-[(5-cyano-2-pyridinyl)-methylamino]-N-(4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl)acetamide.

Molecular Properties

Compound Name2-[(5-cyano-2-pyridinyl)-methylamino]-N-(4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl)acetamide
PubChem CID102555556
Molecular FormulaC21H24N4O
Molecular Weight348.45 g/mol
Exact Mass348.20
IUPAC Name2-[(5-cyano-2-pyridinyl)-methylamino]-N-(4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl)acetamide
SMILESCN(CC(=O)NC1CCC(C)(C)c2ccccc21)c1ccc(C#N)cn1
InChIInChI=1S/C21H24N4O/c1-21(2)11-10-18(16-6-4-5-7-17(16)21)24-20(26)14-25(3)19-9-8-15(12-22)13-23-19/h4-9,13,18H,10-11,14H2,1-3H3,(H,24,26)
InChIKeyLUGMCKNKNGNCAL-UHFFFAOYSA-N
XLogP3.32
TPSA69.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-cyano-2-pyridinyl)-methylamino]-N-(4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl)acetamide?
The IUPAC name of 2-[(5-cyano-2-pyridinyl)-methylamino]-N-(4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl)acetamide (CID 102555556) is 2-[(5-cyano-2-pyridinyl)-methylamino]-N-(4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl)acetamide.
What is the SMILES notation for 2-[(5-cyano-2-pyridinyl)-methylamino]-N-(4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl)acetamide?
The canonical SMILES for 2-[(5-cyano-2-pyridinyl)-methylamino]-N-(4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl)acetamide is CN(CC(=O)NC1CCC(C)(C)c2ccccc21)c1ccc(C#N)cn1.
What is the InChIKey of 2-[(5-cyano-2-pyridinyl)-methylamino]-N-(4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl)acetamide?
The InChIKey is LUGMCKNKNGNCAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O/c1-21(2)11-10-18(16-6-4-5-7-17(16)21)24-20(26)14-25(3)19-9-8-15(12-22)13-23-19/h4-9,13,18H,10-11,14H2,1-3H3,(H,24,26).
What are the key properties of 2-[(5-cyano-2-pyridinyl)-methylamino]-N-(4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl)acetamide?
2-[(5-cyano-2-pyridinyl)-methylamino]-N-(4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl)acetamide has a molecular weight of 348.45 g/mol, XLogP of 3.32, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-cyano-2-pyridinyl)-methylamino]-N-(4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl)acetamide is sourced from PubChem (CID 102555556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).