5-methoxy-4-oxo-N-(1-propan-2-ylindol-4-yl)-1H-pyridine-2-carboxamide

C18H19N3O3 — CID 127254427

IUPAC5-methoxy-4-oxo-N-(1-propan-2-ylindol-4-yl)-1H-pyridine-2-carboxamide
SMILESCOc1c[nH]c(C(=O)Nc2cccc3c2ccn3C(C)C)cc1=O
InChIInChI=1S/C18H19N3O3/c1-11(2)21-8-7-12-13(5-4-6-15(12)21)20-18(23)14-9-16(22)17(24-3)10-19-14/h4-11H,1-3H3,(H,19,22)(H,20,23)
InChIKeyAYGYIVXLIXJJJV-UHFFFAOYSA-N
MW325.37 g/mol
LogP3.17
Rot. Bonds4

About 5-methoxy-4-oxo-N-(1-propan-2-ylindol-4-yl)-1H-pyridine-2-carboxamide

5-methoxy-4-oxo-N-(1-propan-2-ylindol-4-yl)-1H-pyridine-2-carboxamide (PubChem CID 127254427) has the molecular formula C18H19N3O3 and a molecular weight of 325.37 g/mol. Its IUPAC name is 5-methoxy-4-oxo-N-(1-propan-2-ylindol-4-yl)-1H-pyridine-2-carboxamide.

Molecular Properties

Compound Name5-methoxy-4-oxo-N-(1-propan-2-ylindol-4-yl)-1H-pyridine-2-carboxamide
PubChem CID127254427
Molecular FormulaC18H19N3O3
Molecular Weight325.37 g/mol
Exact Mass325.14
IUPAC Name5-methoxy-4-oxo-N-(1-propan-2-ylindol-4-yl)-1H-pyridine-2-carboxamide
SMILESCOc1c[nH]c(C(=O)Nc2cccc3c2ccn3C(C)C)cc1=O
InChIInChI=1S/C18H19N3O3/c1-11(2)21-8-7-12-13(5-4-6-15(12)21)20-18(23)14-9-16(22)17(24-3)10-19-14/h4-11H,1-3H3,(H,19,22)(H,20,23)
InChIKeyAYGYIVXLIXJJJV-UHFFFAOYSA-N
XLogP3.17
TPSA76.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-4-oxo-N-(1-propan-2-ylindol-4-yl)-1H-pyridine-2-carboxamide?
The IUPAC name of 5-methoxy-4-oxo-N-(1-propan-2-ylindol-4-yl)-1H-pyridine-2-carboxamide (CID 127254427) is 5-methoxy-4-oxo-N-(1-propan-2-ylindol-4-yl)-1H-pyridine-2-carboxamide.
What is the SMILES notation for 5-methoxy-4-oxo-N-(1-propan-2-ylindol-4-yl)-1H-pyridine-2-carboxamide?
The canonical SMILES for 5-methoxy-4-oxo-N-(1-propan-2-ylindol-4-yl)-1H-pyridine-2-carboxamide is COc1c[nH]c(C(=O)Nc2cccc3c2ccn3C(C)C)cc1=O.
What is the InChIKey of 5-methoxy-4-oxo-N-(1-propan-2-ylindol-4-yl)-1H-pyridine-2-carboxamide?
The InChIKey is AYGYIVXLIXJJJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O3/c1-11(2)21-8-7-12-13(5-4-6-15(12)21)20-18(23)14-9-16(22)17(24-3)10-19-14/h4-11H,1-3H3,(H,19,22)(H,20,23).
What are the key properties of 5-methoxy-4-oxo-N-(1-propan-2-ylindol-4-yl)-1H-pyridine-2-carboxamide?
5-methoxy-4-oxo-N-(1-propan-2-ylindol-4-yl)-1H-pyridine-2-carboxamide has a molecular weight of 325.37 g/mol, XLogP of 3.17, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-4-oxo-N-(1-propan-2-ylindol-4-yl)-1H-pyridine-2-carboxamide is sourced from PubChem (CID 127254427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).