2-(methylamino)-N-(5-methyl-2,3-dihydropyridin-2-yl)acetamide

C9H15N3O — CID 146342605

IUPAC2-(methylamino)-N-(5-methyl-2,3-dihydropyridin-2-yl)acetamide
SMILESCNCC(=O)NC1CC=C(C)C=N1
InChIInChI=1S/C9H15N3O/c1-7-3-4-8(11-5-7)12-9(13)6-10-2/h3,5,8,10H,4,6H2,1-2H3,(H,12,13)
InChIKeyQXTQHHSTQDOHBA-UHFFFAOYSA-N
MW181.24 g/mol
LogP0.07
Rot. Bonds3

About 2-(methylamino)-N-(5-methyl-2,3-dihydropyridin-2-yl)acetamide

2-(methylamino)-N-(5-methyl-2,3-dihydropyridin-2-yl)acetamide (PubChem CID 146342605) has the molecular formula C9H15N3O and a molecular weight of 181.24 g/mol. Its IUPAC name is 2-(methylamino)-N-(5-methyl-2,3-dihydropyridin-2-yl)acetamide.

Molecular Properties

Compound Name2-(methylamino)-N-(5-methyl-2,3-dihydropyridin-2-yl)acetamide
PubChem CID146342605
Molecular FormulaC9H15N3O
Molecular Weight181.24 g/mol
Exact Mass181.12
IUPAC Name2-(methylamino)-N-(5-methyl-2,3-dihydropyridin-2-yl)acetamide
SMILESCNCC(=O)NC1CC=C(C)C=N1
InChIInChI=1S/C9H15N3O/c1-7-3-4-8(11-5-7)12-9(13)6-10-2/h3,5,8,10H,4,6H2,1-2H3,(H,12,13)
InChIKeyQXTQHHSTQDOHBA-UHFFFAOYSA-N
XLogP0.07
TPSA53.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 50.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)-N-(5-methyl-2,3-dihydropyridin-2-yl)acetamide?
The IUPAC name of 2-(methylamino)-N-(5-methyl-2,3-dihydropyridin-2-yl)acetamide (CID 146342605) is 2-(methylamino)-N-(5-methyl-2,3-dihydropyridin-2-yl)acetamide.
What is the SMILES notation for 2-(methylamino)-N-(5-methyl-2,3-dihydropyridin-2-yl)acetamide?
The canonical SMILES for 2-(methylamino)-N-(5-methyl-2,3-dihydropyridin-2-yl)acetamide is CNCC(=O)NC1CC=C(C)C=N1.
What is the InChIKey of 2-(methylamino)-N-(5-methyl-2,3-dihydropyridin-2-yl)acetamide?
The InChIKey is QXTQHHSTQDOHBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O/c1-7-3-4-8(11-5-7)12-9(13)6-10-2/h3,5,8,10H,4,6H2,1-2H3,(H,12,13).
What are the key properties of 2-(methylamino)-N-(5-methyl-2,3-dihydropyridin-2-yl)acetamide?
2-(methylamino)-N-(5-methyl-2,3-dihydropyridin-2-yl)acetamide has a molecular weight of 181.24 g/mol, XLogP of 0.07, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)-N-(5-methyl-2,3-dihydropyridin-2-yl)acetamide is sourced from PubChem (CID 146342605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).