ethane;methyl 4-amino-5-methyl-1-(1-methylcyclopropyl)-6-oxopyridine-3-carboxylate

C14H22N2O3 — CID 164917348

IUPACethane;methyl 4-amino-5-methyl-1-(1-methylcyclopropyl)-6-oxopyridine-3-carboxylate
SMILESCC.COC(=O)c1cn(C2(C)CC2)c(=O)c(C)c1N
InChIInChI=1S/C12H16N2O3.C2H6/c1-7-9(13)8(11(16)17-3)6-14(10(7)15)12(2)4-5-12;1-2/h6H,4-5,13H2,1-3H3;1-2H3
InChIKeyUMTOHKIRGPOTGE-UHFFFAOYSA-N
MW266.34 g/mol
LogP2.06
Rot. Bonds2

About ethane;methyl 4-amino-5-methyl-1-(1-methylcyclopropyl)-6-oxopyridine-3-carboxylate

ethane;methyl 4-amino-5-methyl-1-(1-methylcyclopropyl)-6-oxopyridine-3-carboxylate (PubChem CID 164917348) has the molecular formula C14H22N2O3 and a molecular weight of 266.34 g/mol. Its IUPAC name is ethane;methyl 4-amino-5-methyl-1-(1-methylcyclopropyl)-6-oxopyridine-3-carboxylate.

Molecular Properties

Compound Nameethane;methyl 4-amino-5-methyl-1-(1-methylcyclopropyl)-6-oxopyridine-3-carboxylate
PubChem CID164917348
Molecular FormulaC14H22N2O3
Molecular Weight266.34 g/mol
Exact Mass266.16
IUPAC Nameethane;methyl 4-amino-5-methyl-1-(1-methylcyclopropyl)-6-oxopyridine-3-carboxylate
SMILESCC.COC(=O)c1cn(C2(C)CC2)c(=O)c(C)c1N
InChIInChI=1S/C12H16N2O3.C2H6/c1-7-9(13)8(11(16)17-3)6-14(10(7)15)12(2)4-5-12;1-2/h6H,4-5,13H2,1-3H3;1-2H3
InChIKeyUMTOHKIRGPOTGE-UHFFFAOYSA-N
XLogP2.06
TPSA74.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethane;methyl 4-amino-5-methyl-1-(1-methylcyclopropyl)-6-oxopyridine-3-carboxylate?
The IUPAC name of ethane;methyl 4-amino-5-methyl-1-(1-methylcyclopropyl)-6-oxopyridine-3-carboxylate (CID 164917348) is ethane;methyl 4-amino-5-methyl-1-(1-methylcyclopropyl)-6-oxopyridine-3-carboxylate.
What is the SMILES notation for ethane;methyl 4-amino-5-methyl-1-(1-methylcyclopropyl)-6-oxopyridine-3-carboxylate?
The canonical SMILES for ethane;methyl 4-amino-5-methyl-1-(1-methylcyclopropyl)-6-oxopyridine-3-carboxylate is CC.COC(=O)c1cn(C2(C)CC2)c(=O)c(C)c1N.
What is the InChIKey of ethane;methyl 4-amino-5-methyl-1-(1-methylcyclopropyl)-6-oxopyridine-3-carboxylate?
The InChIKey is UMTOHKIRGPOTGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O3.C2H6/c1-7-9(13)8(11(16)17-3)6-14(10(7)15)12(2)4-5-12;1-2/h6H,4-5,13H2,1-3H3;1-2H3.
What are the key properties of ethane;methyl 4-amino-5-methyl-1-(1-methylcyclopropyl)-6-oxopyridine-3-carboxylate?
ethane;methyl 4-amino-5-methyl-1-(1-methylcyclopropyl)-6-oxopyridine-3-carboxylate has a molecular weight of 266.34 g/mol, XLogP of 2.06, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;methyl 4-amino-5-methyl-1-(1-methylcyclopropyl)-6-oxopyridine-3-carboxylate is sourced from PubChem (CID 164917348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).