N-[2-hydroxy-2-(6-oxo-1H-pyridin-2-yl)ethyl]-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide

C17H19N3O4 — CID 163317262

IUPACN-[2-hydroxy-2-(6-oxo-1H-pyridin-2-yl)ethyl]-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide
SMILESCc1c(C(=O)NCC(O)c2cccc(=O)[nH]2)[nH]c2c1C(=O)CCC2
InChIInChI=1S/C17H19N3O4/c1-9-15-11(5-2-6-12(15)21)20-16(9)17(24)18-8-13(22)10-4-3-7-14(23)19-10/h3-4,7,13,20,22H,2,5-6,8H2,1H3,(H,18,24)(H,19,23)
InChIKeyIVXPKXMEIIXVJS-UHFFFAOYSA-N
MW329.36 g/mol
LogP0.99
Rot. Bonds4

About N-[2-hydroxy-2-(6-oxo-1H-pyridin-2-yl)ethyl]-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide

N-[2-hydroxy-2-(6-oxo-1H-pyridin-2-yl)ethyl]-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide (PubChem CID 163317262) has the molecular formula C17H19N3O4 and a molecular weight of 329.36 g/mol. Its IUPAC name is N-[2-hydroxy-2-(6-oxo-1H-pyridin-2-yl)ethyl]-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide.

Molecular Properties

Compound NameN-[2-hydroxy-2-(6-oxo-1H-pyridin-2-yl)ethyl]-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide
PubChem CID163317262
Molecular FormulaC17H19N3O4
Molecular Weight329.36 g/mol
Exact Mass329.14
IUPAC NameN-[2-hydroxy-2-(6-oxo-1H-pyridin-2-yl)ethyl]-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide
SMILESCc1c(C(=O)NCC(O)c2cccc(=O)[nH]2)[nH]c2c1C(=O)CCC2
InChIInChI=1S/C17H19N3O4/c1-9-15-11(5-2-6-12(15)21)20-16(9)17(24)18-8-13(22)10-4-3-7-14(23)19-10/h3-4,7,13,20,22H,2,5-6,8H2,1H3,(H,18,24)(H,19,23)
InChIKeyIVXPKXMEIIXVJS-UHFFFAOYSA-N
XLogP0.99
TPSA115.05 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.36
LogP ≤ 50.99
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-hydroxy-2-(6-oxo-1H-pyridin-2-yl)ethyl]-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide?
The IUPAC name of N-[2-hydroxy-2-(6-oxo-1H-pyridin-2-yl)ethyl]-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide (CID 163317262) is N-[2-hydroxy-2-(6-oxo-1H-pyridin-2-yl)ethyl]-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide.
What is the SMILES notation for N-[2-hydroxy-2-(6-oxo-1H-pyridin-2-yl)ethyl]-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide?
The canonical SMILES for N-[2-hydroxy-2-(6-oxo-1H-pyridin-2-yl)ethyl]-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide is Cc1c(C(=O)NCC(O)c2cccc(=O)[nH]2)[nH]c2c1C(=O)CCC2.
What is the InChIKey of N-[2-hydroxy-2-(6-oxo-1H-pyridin-2-yl)ethyl]-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide?
The InChIKey is IVXPKXMEIIXVJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O4/c1-9-15-11(5-2-6-12(15)21)20-16(9)17(24)18-8-13(22)10-4-3-7-14(23)19-10/h3-4,7,13,20,22H,2,5-6,8H2,1H3,(H,18,24)(H,19,23).
What are the key properties of N-[2-hydroxy-2-(6-oxo-1H-pyridin-2-yl)ethyl]-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide?
N-[2-hydroxy-2-(6-oxo-1H-pyridin-2-yl)ethyl]-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide has a molecular weight of 329.36 g/mol, XLogP of 0.99, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-hydroxy-2-(6-oxo-1H-pyridin-2-yl)ethyl]-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide is sourced from PubChem (CID 163317262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).