N-(3,4-dihydropyridin-5-yl)acetamide

C7H10N2O — CID 137427623

IUPACN-(3,4-dihydropyridin-5-yl)acetamide
SMILESCC(=O)NC1=CN=CCC1
InChIInChI=1S/C7H10N2O/c1-6(10)9-7-3-2-4-8-5-7/h4-5H,2-3H2,1H3,(H,9,10)
InChIKeyKZKJKBIEZFWTBG-UHFFFAOYSA-N
MW138.17 g/mol
LogP0.83
Rot. Bonds1

About N-(3,4-dihydropyridin-5-yl)acetamide

N-(3,4-dihydropyridin-5-yl)acetamide (PubChem CID 137427623) has the molecular formula C7H10N2O and a molecular weight of 138.17 g/mol. Its IUPAC name is N-(3,4-dihydropyridin-5-yl)acetamide.

Molecular Properties

Compound NameN-(3,4-dihydropyridin-5-yl)acetamide
PubChem CID137427623
Molecular FormulaC7H10N2O
Molecular Weight138.17 g/mol
Exact Mass138.08
IUPAC NameN-(3,4-dihydropyridin-5-yl)acetamide
SMILESCC(=O)NC1=CN=CCC1
InChIInChI=1S/C7H10N2O/c1-6(10)9-7-3-2-4-8-5-7/h4-5H,2-3H2,1H3,(H,9,10)
InChIKeyKZKJKBIEZFWTBG-UHFFFAOYSA-N
XLogP0.83
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.17
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(3,4-dihydropyridin-5-yl)acetamide?
The IUPAC name of N-(3,4-dihydropyridin-5-yl)acetamide (CID 137427623) is N-(3,4-dihydropyridin-5-yl)acetamide.
What is the SMILES notation for N-(3,4-dihydropyridin-5-yl)acetamide?
The canonical SMILES for N-(3,4-dihydropyridin-5-yl)acetamide is CC(=O)NC1=CN=CCC1.
What is the InChIKey of N-(3,4-dihydropyridin-5-yl)acetamide?
The InChIKey is KZKJKBIEZFWTBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O/c1-6(10)9-7-3-2-4-8-5-7/h4-5H,2-3H2,1H3,(H,9,10).
What are the key properties of N-(3,4-dihydropyridin-5-yl)acetamide?
N-(3,4-dihydropyridin-5-yl)acetamide has a molecular weight of 138.17 g/mol, XLogP of 0.83, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dihydropyridin-5-yl)acetamide is sourced from PubChem (CID 137427623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).