2-[(5-amino-3-pyridinyl)-ethylamino]-N,N-dimethylacetamide

C11H18N4O — CID 104533388

IUPAC2-[(5-amino-3-pyridinyl)-ethylamino]-N,N-dimethylacetamide
SMILESCCN(CC(=O)N(C)C)c1cncc(N)c1
InChIInChI=1S/C11H18N4O/c1-4-15(8-11(16)14(2)3)10-5-9(12)6-13-7-10/h5-7H,4,8,12H2,1-3H3
InChIKeyRIVFATRZBUHPBF-UHFFFAOYSA-N
MW222.29 g/mol
LogP0.58
Rot. Bonds4

About 2-[(5-amino-3-pyridinyl)-ethylamino]-N,N-dimethylacetamide

2-[(5-amino-3-pyridinyl)-ethylamino]-N,N-dimethylacetamide (PubChem CID 104533388) has the molecular formula C11H18N4O and a molecular weight of 222.29 g/mol. Its IUPAC name is 2-[(5-amino-3-pyridinyl)-ethylamino]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[(5-amino-3-pyridinyl)-ethylamino]-N,N-dimethylacetamide
PubChem CID104533388
Molecular FormulaC11H18N4O
Molecular Weight222.29 g/mol
Exact Mass222.15
IUPAC Name2-[(5-amino-3-pyridinyl)-ethylamino]-N,N-dimethylacetamide
SMILESCCN(CC(=O)N(C)C)c1cncc(N)c1
InChIInChI=1S/C11H18N4O/c1-4-15(8-11(16)14(2)3)10-5-9(12)6-13-7-10/h5-7H,4,8,12H2,1-3H3
InChIKeyRIVFATRZBUHPBF-UHFFFAOYSA-N
XLogP0.58
TPSA62.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-amino-3-pyridinyl)-ethylamino]-N,N-dimethylacetamide?
The IUPAC name of 2-[(5-amino-3-pyridinyl)-ethylamino]-N,N-dimethylacetamide (CID 104533388) is 2-[(5-amino-3-pyridinyl)-ethylamino]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[(5-amino-3-pyridinyl)-ethylamino]-N,N-dimethylacetamide?
The canonical SMILES for 2-[(5-amino-3-pyridinyl)-ethylamino]-N,N-dimethylacetamide is CCN(CC(=O)N(C)C)c1cncc(N)c1.
What is the InChIKey of 2-[(5-amino-3-pyridinyl)-ethylamino]-N,N-dimethylacetamide?
The InChIKey is RIVFATRZBUHPBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O/c1-4-15(8-11(16)14(2)3)10-5-9(12)6-13-7-10/h5-7H,4,8,12H2,1-3H3.
What are the key properties of 2-[(5-amino-3-pyridinyl)-ethylamino]-N,N-dimethylacetamide?
2-[(5-amino-3-pyridinyl)-ethylamino]-N,N-dimethylacetamide has a molecular weight of 222.29 g/mol, XLogP of 0.58, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-amino-3-pyridinyl)-ethylamino]-N,N-dimethylacetamide is sourced from PubChem (CID 104533388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).