4-methoxy-6-oxo-N-(2-oxo-1-phenylpiperidin-3-yl)-1H-pyridine-3-carboxamide

C18H19N3O4 — CID 138053753

IUPAC4-methoxy-6-oxo-N-(2-oxo-1-phenylpiperidin-3-yl)-1H-pyridine-3-carboxamide
SMILESCOc1cc(=O)[nH]cc1C(=O)NC1CCCN(c2ccccc2)C1=O
InChIInChI=1S/C18H19N3O4/c1-25-15-10-16(22)19-11-13(15)17(23)20-14-8-5-9-21(18(14)24)12-6-3-2-4-7-12/h2-4,6-7,10-11,14H,5,8-9H2,1H3,(H,19,22)(H,20,23)
InChIKeyATGPMMNFGIQJAL-UHFFFAOYSA-N
MW341.37 g/mol
LogP1.31
Rot. Bonds4

About 4-methoxy-6-oxo-N-(2-oxo-1-phenylpiperidin-3-yl)-1H-pyridine-3-carboxamide

4-methoxy-6-oxo-N-(2-oxo-1-phenylpiperidin-3-yl)-1H-pyridine-3-carboxamide (PubChem CID 138053753) has the molecular formula C18H19N3O4 and a molecular weight of 341.37 g/mol. Its IUPAC name is 4-methoxy-6-oxo-N-(2-oxo-1-phenylpiperidin-3-yl)-1H-pyridine-3-carboxamide.

Molecular Properties

Compound Name4-methoxy-6-oxo-N-(2-oxo-1-phenylpiperidin-3-yl)-1H-pyridine-3-carboxamide
PubChem CID138053753
Molecular FormulaC18H19N3O4
Molecular Weight341.37 g/mol
Exact Mass341.14
IUPAC Name4-methoxy-6-oxo-N-(2-oxo-1-phenylpiperidin-3-yl)-1H-pyridine-3-carboxamide
SMILESCOc1cc(=O)[nH]cc1C(=O)NC1CCCN(c2ccccc2)C1=O
InChIInChI=1S/C18H19N3O4/c1-25-15-10-16(22)19-11-13(15)17(23)20-14-8-5-9-21(18(14)24)12-6-3-2-4-7-12/h2-4,6-7,10-11,14H,5,8-9H2,1H3,(H,19,22)(H,20,23)
InChIKeyATGPMMNFGIQJAL-UHFFFAOYSA-N
XLogP1.31
TPSA91.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.37
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-6-oxo-N-(2-oxo-1-phenylpiperidin-3-yl)-1H-pyridine-3-carboxamide?
The IUPAC name of 4-methoxy-6-oxo-N-(2-oxo-1-phenylpiperidin-3-yl)-1H-pyridine-3-carboxamide (CID 138053753) is 4-methoxy-6-oxo-N-(2-oxo-1-phenylpiperidin-3-yl)-1H-pyridine-3-carboxamide.
What is the SMILES notation for 4-methoxy-6-oxo-N-(2-oxo-1-phenylpiperidin-3-yl)-1H-pyridine-3-carboxamide?
The canonical SMILES for 4-methoxy-6-oxo-N-(2-oxo-1-phenylpiperidin-3-yl)-1H-pyridine-3-carboxamide is COc1cc(=O)[nH]cc1C(=O)NC1CCCN(c2ccccc2)C1=O.
What is the InChIKey of 4-methoxy-6-oxo-N-(2-oxo-1-phenylpiperidin-3-yl)-1H-pyridine-3-carboxamide?
The InChIKey is ATGPMMNFGIQJAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O4/c1-25-15-10-16(22)19-11-13(15)17(23)20-14-8-5-9-21(18(14)24)12-6-3-2-4-7-12/h2-4,6-7,10-11,14H,5,8-9H2,1H3,(H,19,22)(H,20,23).
What are the key properties of 4-methoxy-6-oxo-N-(2-oxo-1-phenylpiperidin-3-yl)-1H-pyridine-3-carboxamide?
4-methoxy-6-oxo-N-(2-oxo-1-phenylpiperidin-3-yl)-1H-pyridine-3-carboxamide has a molecular weight of 341.37 g/mol, XLogP of 1.31, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-6-oxo-N-(2-oxo-1-phenylpiperidin-3-yl)-1H-pyridine-3-carboxamide is sourced from PubChem (CID 138053753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).