methyl 2-acetamido-3-amino-1-methyl-3,6-dihydro-2H-pyridine-5-carboxylate

C10H17N3O3 — CID 18730095

IUPACmethyl 2-acetamido-3-amino-1-methyl-3,6-dihydro-2H-pyridine-5-carboxylate
SMILESCOC(=O)C1=CC(N)C(NC(C)=O)N(C)C1
InChIInChI=1S/C10H17N3O3/c1-6(14)12-9-8(11)4-7(5-13(9)2)10(15)16-3/h4,8-9H,5,11H2,1-3H3,(H,12,14)
InChIKeyQDECOLKHWYLWFF-UHFFFAOYSA-N
MW227.26 g/mol
LogP-1.18
Rot. Bonds2

About methyl 2-acetamido-3-amino-1-methyl-3,6-dihydro-2H-pyridine-5-carboxylate

methyl 2-acetamido-3-amino-1-methyl-3,6-dihydro-2H-pyridine-5-carboxylate (PubChem CID 18730095) has the molecular formula C10H17N3O3 and a molecular weight of 227.26 g/mol. Its IUPAC name is methyl 2-acetamido-3-amino-1-methyl-3,6-dihydro-2H-pyridine-5-carboxylate.

Molecular Properties

Compound Namemethyl 2-acetamido-3-amino-1-methyl-3,6-dihydro-2H-pyridine-5-carboxylate
PubChem CID18730095
Molecular FormulaC10H17N3O3
Molecular Weight227.26 g/mol
Exact Mass227.13
IUPAC Namemethyl 2-acetamido-3-amino-1-methyl-3,6-dihydro-2H-pyridine-5-carboxylate
SMILESCOC(=O)C1=CC(N)C(NC(C)=O)N(C)C1
InChIInChI=1S/C10H17N3O3/c1-6(14)12-9-8(11)4-7(5-13(9)2)10(15)16-3/h4,8-9H,5,11H2,1-3H3,(H,12,14)
InChIKeyQDECOLKHWYLWFF-UHFFFAOYSA-N
XLogP-1.18
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.26
LogP ≤ 5-1.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-acetamido-3-amino-1-methyl-3,6-dihydro-2H-pyridine-5-carboxylate?
The IUPAC name of methyl 2-acetamido-3-amino-1-methyl-3,6-dihydro-2H-pyridine-5-carboxylate (CID 18730095) is methyl 2-acetamido-3-amino-1-methyl-3,6-dihydro-2H-pyridine-5-carboxylate.
What is the SMILES notation for methyl 2-acetamido-3-amino-1-methyl-3,6-dihydro-2H-pyridine-5-carboxylate?
The canonical SMILES for methyl 2-acetamido-3-amino-1-methyl-3,6-dihydro-2H-pyridine-5-carboxylate is COC(=O)C1=CC(N)C(NC(C)=O)N(C)C1.
What is the InChIKey of methyl 2-acetamido-3-amino-1-methyl-3,6-dihydro-2H-pyridine-5-carboxylate?
The InChIKey is QDECOLKHWYLWFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O3/c1-6(14)12-9-8(11)4-7(5-13(9)2)10(15)16-3/h4,8-9H,5,11H2,1-3H3,(H,12,14).
What are the key properties of methyl 2-acetamido-3-amino-1-methyl-3,6-dihydro-2H-pyridine-5-carboxylate?
methyl 2-acetamido-3-amino-1-methyl-3,6-dihydro-2H-pyridine-5-carboxylate has a molecular weight of 227.26 g/mol, XLogP of -1.18, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-acetamido-3-amino-1-methyl-3,6-dihydro-2H-pyridine-5-carboxylate is sourced from PubChem (CID 18730095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).