2-[1-(1H-indol-4-yl)ethenyl]-6-(methylcarbamoyl)pyridine-4-carboxylic acid

C18H15N3O3 — CID 131988963

IUPAC2-[1-(1H-indol-4-yl)ethenyl]-6-(methylcarbamoyl)pyridine-4-carboxylic acid
SMILESC=C(c1cc(C(=O)O)cc(C(=O)NC)n1)c1cccc2[nH]ccc12
InChIInChI=1S/C18H15N3O3/c1-10(12-4-3-5-14-13(12)6-7-20-14)15-8-11(18(23)24)9-16(21-15)17(22)19-2/h3-9,20H,1H2,2H3,(H,19,22)(H,23,24)
InChIKeyPFVYTYXGVCEYMI-UHFFFAOYSA-N
MW321.34 g/mol
LogP2.68
Rot. Bonds4

About 2-[1-(1H-indol-4-yl)ethenyl]-6-(methylcarbamoyl)pyridine-4-carboxylic acid

2-[1-(1H-indol-4-yl)ethenyl]-6-(methylcarbamoyl)pyridine-4-carboxylic acid (PubChem CID 131988963) has the molecular formula C18H15N3O3 and a molecular weight of 321.34 g/mol. Its IUPAC name is 2-[1-(1H-indol-4-yl)ethenyl]-6-(methylcarbamoyl)pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-[1-(1H-indol-4-yl)ethenyl]-6-(methylcarbamoyl)pyridine-4-carboxylic acid
PubChem CID131988963
Molecular FormulaC18H15N3O3
Molecular Weight321.34 g/mol
Exact Mass321.11
IUPAC Name2-[1-(1H-indol-4-yl)ethenyl]-6-(methylcarbamoyl)pyridine-4-carboxylic acid
SMILESC=C(c1cc(C(=O)O)cc(C(=O)NC)n1)c1cccc2[nH]ccc12
InChIInChI=1S/C18H15N3O3/c1-10(12-4-3-5-14-13(12)6-7-20-14)15-8-11(18(23)24)9-16(21-15)17(22)19-2/h3-9,20H,1H2,2H3,(H,19,22)(H,23,24)
InChIKeyPFVYTYXGVCEYMI-UHFFFAOYSA-N
XLogP2.68
TPSA95.08 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.34
LogP ≤ 52.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(1H-indol-4-yl)ethenyl]-6-(methylcarbamoyl)pyridine-4-carboxylic acid?
The IUPAC name of 2-[1-(1H-indol-4-yl)ethenyl]-6-(methylcarbamoyl)pyridine-4-carboxylic acid (CID 131988963) is 2-[1-(1H-indol-4-yl)ethenyl]-6-(methylcarbamoyl)pyridine-4-carboxylic acid.
What is the SMILES notation for 2-[1-(1H-indol-4-yl)ethenyl]-6-(methylcarbamoyl)pyridine-4-carboxylic acid?
The canonical SMILES for 2-[1-(1H-indol-4-yl)ethenyl]-6-(methylcarbamoyl)pyridine-4-carboxylic acid is C=C(c1cc(C(=O)O)cc(C(=O)NC)n1)c1cccc2[nH]ccc12.
What is the InChIKey of 2-[1-(1H-indol-4-yl)ethenyl]-6-(methylcarbamoyl)pyridine-4-carboxylic acid?
The InChIKey is PFVYTYXGVCEYMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O3/c1-10(12-4-3-5-14-13(12)6-7-20-14)15-8-11(18(23)24)9-16(21-15)17(22)19-2/h3-9,20H,1H2,2H3,(H,19,22)(H,23,24).
What are the key properties of 2-[1-(1H-indol-4-yl)ethenyl]-6-(methylcarbamoyl)pyridine-4-carboxylic acid?
2-[1-(1H-indol-4-yl)ethenyl]-6-(methylcarbamoyl)pyridine-4-carboxylic acid has a molecular weight of 321.34 g/mol, XLogP of 2.68, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(1H-indol-4-yl)ethenyl]-6-(methylcarbamoyl)pyridine-4-carboxylic acid is sourced from PubChem (CID 131988963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).