N-[6-(ethylamino)-3-pyridinyl]-N,2,2-trimethylpropanamide

C13H21N3O — CID 115268708

IUPACN-[6-(ethylamino)-3-pyridinyl]-N,2,2-trimethylpropanamide
SMILESCCNc1ccc(N(C)C(=O)C(C)(C)C)cn1
InChIInChI=1S/C13H21N3O/c1-6-14-11-8-7-10(9-15-11)16(5)12(17)13(2,3)4/h7-9H,6H2,1-5H3,(H,14,15)
InChIKeyVMNTVECFMUGCCI-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.52
Rot. Bonds3

About N-[6-(ethylamino)-3-pyridinyl]-N,2,2-trimethylpropanamide

N-[6-(ethylamino)-3-pyridinyl]-N,2,2-trimethylpropanamide (PubChem CID 115268708) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is N-[6-(ethylamino)-3-pyridinyl]-N,2,2-trimethylpropanamide.

Molecular Properties

Compound NameN-[6-(ethylamino)-3-pyridinyl]-N,2,2-trimethylpropanamide
PubChem CID115268708
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC NameN-[6-(ethylamino)-3-pyridinyl]-N,2,2-trimethylpropanamide
SMILESCCNc1ccc(N(C)C(=O)C(C)(C)C)cn1
InChIInChI=1S/C13H21N3O/c1-6-14-11-8-7-10(9-15-11)16(5)12(17)13(2,3)4/h7-9H,6H2,1-5H3,(H,14,15)
InChIKeyVMNTVECFMUGCCI-UHFFFAOYSA-N
XLogP2.52
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[6-(ethylamino)-3-pyridinyl]-N,2,2-trimethylpropanamide?
The IUPAC name of N-[6-(ethylamino)-3-pyridinyl]-N,2,2-trimethylpropanamide (CID 115268708) is N-[6-(ethylamino)-3-pyridinyl]-N,2,2-trimethylpropanamide.
What is the SMILES notation for N-[6-(ethylamino)-3-pyridinyl]-N,2,2-trimethylpropanamide?
The canonical SMILES for N-[6-(ethylamino)-3-pyridinyl]-N,2,2-trimethylpropanamide is CCNc1ccc(N(C)C(=O)C(C)(C)C)cn1.
What is the InChIKey of N-[6-(ethylamino)-3-pyridinyl]-N,2,2-trimethylpropanamide?
The InChIKey is VMNTVECFMUGCCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-6-14-11-8-7-10(9-15-11)16(5)12(17)13(2,3)4/h7-9H,6H2,1-5H3,(H,14,15).
What are the key properties of N-[6-(ethylamino)-3-pyridinyl]-N,2,2-trimethylpropanamide?
N-[6-(ethylamino)-3-pyridinyl]-N,2,2-trimethylpropanamide has a molecular weight of 235.33 g/mol, XLogP of 2.52, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(ethylamino)-3-pyridinyl]-N,2,2-trimethylpropanamide is sourced from PubChem (CID 115268708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).