2-amino-N-[2-[2-(dimethylamino)ethyl]-1,2-dihydropyridin-5-yl]acetamide

C11H20N4O — CID 67600004

IUPAC2-amino-N-[2-[2-(dimethylamino)ethyl]-1,2-dihydropyridin-5-yl]acetamide
SMILESCN(C)CCC1C=CC(NC(=O)CN)=CN1
InChIInChI=1S/C11H20N4O/c1-15(2)6-5-9-3-4-10(8-13-9)14-11(16)7-12/h3-4,8-9,13H,5-7,12H2,1-2H3,(H,14,16)
InChIKeyVPFLOFKQAYKJAR-UHFFFAOYSA-N
MW224.31 g/mol
LogP-0.62
Rot. Bonds5

About 2-amino-N-[2-[2-(dimethylamino)ethyl]-1,2-dihydropyridin-5-yl]acetamide

2-amino-N-[2-[2-(dimethylamino)ethyl]-1,2-dihydropyridin-5-yl]acetamide (PubChem CID 67600004) has the molecular formula C11H20N4O and a molecular weight of 224.31 g/mol. Its IUPAC name is 2-amino-N-[2-[2-(dimethylamino)ethyl]-1,2-dihydropyridin-5-yl]acetamide.

Molecular Properties

Compound Name2-amino-N-[2-[2-(dimethylamino)ethyl]-1,2-dihydropyridin-5-yl]acetamide
PubChem CID67600004
Molecular FormulaC11H20N4O
Molecular Weight224.31 g/mol
Exact Mass224.16
IUPAC Name2-amino-N-[2-[2-(dimethylamino)ethyl]-1,2-dihydropyridin-5-yl]acetamide
SMILESCN(C)CCC1C=CC(NC(=O)CN)=CN1
InChIInChI=1S/C11H20N4O/c1-15(2)6-5-9-3-4-10(8-13-9)14-11(16)7-12/h3-4,8-9,13H,5-7,12H2,1-2H3,(H,14,16)
InChIKeyVPFLOFKQAYKJAR-UHFFFAOYSA-N
XLogP-0.62
TPSA70.39 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.31
LogP ≤ 5-0.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-[2-(dimethylamino)ethyl]-1,2-dihydropyridin-5-yl]acetamide?
The IUPAC name of 2-amino-N-[2-[2-(dimethylamino)ethyl]-1,2-dihydropyridin-5-yl]acetamide (CID 67600004) is 2-amino-N-[2-[2-(dimethylamino)ethyl]-1,2-dihydropyridin-5-yl]acetamide.
What is the SMILES notation for 2-amino-N-[2-[2-(dimethylamino)ethyl]-1,2-dihydropyridin-5-yl]acetamide?
The canonical SMILES for 2-amino-N-[2-[2-(dimethylamino)ethyl]-1,2-dihydropyridin-5-yl]acetamide is CN(C)CCC1C=CC(NC(=O)CN)=CN1.
What is the InChIKey of 2-amino-N-[2-[2-(dimethylamino)ethyl]-1,2-dihydropyridin-5-yl]acetamide?
The InChIKey is VPFLOFKQAYKJAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O/c1-15(2)6-5-9-3-4-10(8-13-9)14-11(16)7-12/h3-4,8-9,13H,5-7,12H2,1-2H3,(H,14,16).
What are the key properties of 2-amino-N-[2-[2-(dimethylamino)ethyl]-1,2-dihydropyridin-5-yl]acetamide?
2-amino-N-[2-[2-(dimethylamino)ethyl]-1,2-dihydropyridin-5-yl]acetamide has a molecular weight of 224.31 g/mol, XLogP of -0.62, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-[2-(dimethylamino)ethyl]-1,2-dihydropyridin-5-yl]acetamide is sourced from PubChem (CID 67600004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).