N-(2-amino-2-oxoethyl)-3-(2,3-dihydropyridin-5-yl)-N-methylpropanamide

C11H17N3O2 — CID 170732794

IUPACN-(2-amino-2-oxoethyl)-3-(2,3-dihydropyridin-5-yl)-N-methylpropanamide
SMILESCN(CC(N)=O)C(=O)CCC1=CCCN=C1
InChIInChI=1S/C11H17N3O2/c1-14(8-10(12)15)11(16)5-4-9-3-2-6-13-7-9/h3,7H,2,4-6,8H2,1H3,(H2,12,15)
InChIKeyULDKEBHWDIMRFA-UHFFFAOYSA-N
MW223.28 g/mol
LogP0.11
Rot. Bonds5

About N-(2-amino-2-oxoethyl)-3-(2,3-dihydropyridin-5-yl)-N-methylpropanamide

N-(2-amino-2-oxoethyl)-3-(2,3-dihydropyridin-5-yl)-N-methylpropanamide (PubChem CID 170732794) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is N-(2-amino-2-oxoethyl)-3-(2,3-dihydropyridin-5-yl)-N-methylpropanamide.

Molecular Properties

Compound NameN-(2-amino-2-oxoethyl)-3-(2,3-dihydropyridin-5-yl)-N-methylpropanamide
PubChem CID170732794
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC NameN-(2-amino-2-oxoethyl)-3-(2,3-dihydropyridin-5-yl)-N-methylpropanamide
SMILESCN(CC(N)=O)C(=O)CCC1=CCCN=C1
InChIInChI=1S/C11H17N3O2/c1-14(8-10(12)15)11(16)5-4-9-3-2-6-13-7-9/h3,7H,2,4-6,8H2,1H3,(H2,12,15)
InChIKeyULDKEBHWDIMRFA-UHFFFAOYSA-N
XLogP0.11
TPSA75.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 50.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-oxoethyl)-3-(2,3-dihydropyridin-5-yl)-N-methylpropanamide?
The IUPAC name of N-(2-amino-2-oxoethyl)-3-(2,3-dihydropyridin-5-yl)-N-methylpropanamide (CID 170732794) is N-(2-amino-2-oxoethyl)-3-(2,3-dihydropyridin-5-yl)-N-methylpropanamide.
What is the SMILES notation for N-(2-amino-2-oxoethyl)-3-(2,3-dihydropyridin-5-yl)-N-methylpropanamide?
The canonical SMILES for N-(2-amino-2-oxoethyl)-3-(2,3-dihydropyridin-5-yl)-N-methylpropanamide is CN(CC(N)=O)C(=O)CCC1=CCCN=C1.
What is the InChIKey of N-(2-amino-2-oxoethyl)-3-(2,3-dihydropyridin-5-yl)-N-methylpropanamide?
The InChIKey is ULDKEBHWDIMRFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2/c1-14(8-10(12)15)11(16)5-4-9-3-2-6-13-7-9/h3,7H,2,4-6,8H2,1H3,(H2,12,15).
What are the key properties of N-(2-amino-2-oxoethyl)-3-(2,3-dihydropyridin-5-yl)-N-methylpropanamide?
N-(2-amino-2-oxoethyl)-3-(2,3-dihydropyridin-5-yl)-N-methylpropanamide has a molecular weight of 223.28 g/mol, XLogP of 0.11, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-oxoethyl)-3-(2,3-dihydropyridin-5-yl)-N-methylpropanamide is sourced from PubChem (CID 170732794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).