methyl 1-(5-amino-1-methyl-6-oxo-3-pyridinyl)indole-6-carboxylate

C16H15N3O3 — CID 175301452

IUPACmethyl 1-(5-amino-1-methyl-6-oxo-3-pyridinyl)indole-6-carboxylate
SMILESCOC(=O)c1ccc2ccn(-c3cc(N)c(=O)n(C)c3)c2c1
InChIInChI=1S/C16H15N3O3/c1-18-9-12(8-13(17)15(18)20)19-6-5-10-3-4-11(7-14(10)19)16(21)22-2/h3-9H,17H2,1-2H3
InChIKeyNXCZKXFSCCPKOL-UHFFFAOYSA-N
MW297.31 g/mol
LogP1.70
Rot. Bonds2

About methyl 1-(5-amino-1-methyl-6-oxo-3-pyridinyl)indole-6-carboxylate

methyl 1-(5-amino-1-methyl-6-oxo-3-pyridinyl)indole-6-carboxylate (PubChem CID 175301452) has the molecular formula C16H15N3O3 and a molecular weight of 297.31 g/mol. Its IUPAC name is methyl 1-(5-amino-1-methyl-6-oxo-3-pyridinyl)indole-6-carboxylate.

Molecular Properties

Compound Namemethyl 1-(5-amino-1-methyl-6-oxo-3-pyridinyl)indole-6-carboxylate
PubChem CID175301452
Molecular FormulaC16H15N3O3
Molecular Weight297.31 g/mol
Exact Mass297.11
IUPAC Namemethyl 1-(5-amino-1-methyl-6-oxo-3-pyridinyl)indole-6-carboxylate
SMILESCOC(=O)c1ccc2ccn(-c3cc(N)c(=O)n(C)c3)c2c1
InChIInChI=1S/C16H15N3O3/c1-18-9-12(8-13(17)15(18)20)19-6-5-10-3-4-11(7-14(10)19)16(21)22-2/h3-9H,17H2,1-2H3
InChIKeyNXCZKXFSCCPKOL-UHFFFAOYSA-N
XLogP1.70
TPSA79.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.31
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 1-(5-amino-1-methyl-6-oxo-3-pyridinyl)indole-6-carboxylate?
The IUPAC name of methyl 1-(5-amino-1-methyl-6-oxo-3-pyridinyl)indole-6-carboxylate (CID 175301452) is methyl 1-(5-amino-1-methyl-6-oxo-3-pyridinyl)indole-6-carboxylate.
What is the SMILES notation for methyl 1-(5-amino-1-methyl-6-oxo-3-pyridinyl)indole-6-carboxylate?
The canonical SMILES for methyl 1-(5-amino-1-methyl-6-oxo-3-pyridinyl)indole-6-carboxylate is COC(=O)c1ccc2ccn(-c3cc(N)c(=O)n(C)c3)c2c1.
What is the InChIKey of methyl 1-(5-amino-1-methyl-6-oxo-3-pyridinyl)indole-6-carboxylate?
The InChIKey is NXCZKXFSCCPKOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O3/c1-18-9-12(8-13(17)15(18)20)19-6-5-10-3-4-11(7-14(10)19)16(21)22-2/h3-9H,17H2,1-2H3.
What are the key properties of methyl 1-(5-amino-1-methyl-6-oxo-3-pyridinyl)indole-6-carboxylate?
methyl 1-(5-amino-1-methyl-6-oxo-3-pyridinyl)indole-6-carboxylate has a molecular weight of 297.31 g/mol, XLogP of 1.70, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(5-amino-1-methyl-6-oxo-3-pyridinyl)indole-6-carboxylate is sourced from PubChem (CID 175301452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).