methyl 1-(4-carbamoyl-3-pyridinyl)indole-5-carboxylate

C16H13N3O3 — CID 170651487

IUPACmethyl 1-(4-carbamoyl-3-pyridinyl)indole-5-carboxylate
SMILESCOC(=O)c1ccc2c(ccn2-c2cnccc2C(N)=O)c1
InChIInChI=1S/C16H13N3O3/c1-22-16(21)11-2-3-13-10(8-11)5-7-19(13)14-9-18-6-4-12(14)15(17)20/h2-9H,1H3,(H2,17,20)
InChIKeyAISSMBAWKNVRRI-UHFFFAOYSA-N
MW295.30 g/mol
LogP1.91
Rot. Bonds3

About methyl 1-(4-carbamoyl-3-pyridinyl)indole-5-carboxylate

methyl 1-(4-carbamoyl-3-pyridinyl)indole-5-carboxylate (PubChem CID 170651487) has the molecular formula C16H13N3O3 and a molecular weight of 295.30 g/mol. Its IUPAC name is methyl 1-(4-carbamoyl-3-pyridinyl)indole-5-carboxylate.

Molecular Properties

Compound Namemethyl 1-(4-carbamoyl-3-pyridinyl)indole-5-carboxylate
PubChem CID170651487
Molecular FormulaC16H13N3O3
Molecular Weight295.30 g/mol
Exact Mass295.10
IUPAC Namemethyl 1-(4-carbamoyl-3-pyridinyl)indole-5-carboxylate
SMILESCOC(=O)c1ccc2c(ccn2-c2cnccc2C(N)=O)c1
InChIInChI=1S/C16H13N3O3/c1-22-16(21)11-2-3-13-10(8-11)5-7-19(13)14-9-18-6-4-12(14)15(17)20/h2-9H,1H3,(H2,17,20)
InChIKeyAISSMBAWKNVRRI-UHFFFAOYSA-N
XLogP1.91
TPSA87.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.30
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 1-(4-carbamoyl-3-pyridinyl)indole-5-carboxylate?
The IUPAC name of methyl 1-(4-carbamoyl-3-pyridinyl)indole-5-carboxylate (CID 170651487) is methyl 1-(4-carbamoyl-3-pyridinyl)indole-5-carboxylate.
What is the SMILES notation for methyl 1-(4-carbamoyl-3-pyridinyl)indole-5-carboxylate?
The canonical SMILES for methyl 1-(4-carbamoyl-3-pyridinyl)indole-5-carboxylate is COC(=O)c1ccc2c(ccn2-c2cnccc2C(N)=O)c1.
What is the InChIKey of methyl 1-(4-carbamoyl-3-pyridinyl)indole-5-carboxylate?
The InChIKey is AISSMBAWKNVRRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3O3/c1-22-16(21)11-2-3-13-10(8-11)5-7-19(13)14-9-18-6-4-12(14)15(17)20/h2-9H,1H3,(H2,17,20).
What are the key properties of methyl 1-(4-carbamoyl-3-pyridinyl)indole-5-carboxylate?
methyl 1-(4-carbamoyl-3-pyridinyl)indole-5-carboxylate has a molecular weight of 295.30 g/mol, XLogP of 1.91, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(4-carbamoyl-3-pyridinyl)indole-5-carboxylate is sourced from PubChem (CID 170651487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).