6-(4-methoxyphenyl)-N-[2-(1-methylpiperidin-4-yl)ethyl]-2-oxo-1H-pyridine-3-carboxamide

C21H27N3O3 — CID 131911083

IUPAC6-(4-methoxyphenyl)-N-[2-(1-methylpiperidin-4-yl)ethyl]-2-oxo-1H-pyridine-3-carboxamide
SMILESCOc1ccc(-c2ccc(C(=O)NCCC3CCN(C)CC3)c(=O)[nH]2)cc1
InChIInChI=1S/C21H27N3O3/c1-24-13-10-15(11-14-24)9-12-22-20(25)18-7-8-19(23-21(18)26)16-3-5-17(27-2)6-4-16/h3-8,15H,9-14H2,1-2H3,(H,22,25)(H,23,26)
InChIKeyDKXNGTQUULQKOL-UHFFFAOYSA-N
MW369.47 g/mol
LogP2.51
Rot. Bonds6

About 6-(4-methoxyphenyl)-N-[2-(1-methylpiperidin-4-yl)ethyl]-2-oxo-1H-pyridine-3-carboxamide

6-(4-methoxyphenyl)-N-[2-(1-methylpiperidin-4-yl)ethyl]-2-oxo-1H-pyridine-3-carboxamide (PubChem CID 131911083) has the molecular formula C21H27N3O3 and a molecular weight of 369.47 g/mol. Its IUPAC name is 6-(4-methoxyphenyl)-N-[2-(1-methylpiperidin-4-yl)ethyl]-2-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound Name6-(4-methoxyphenyl)-N-[2-(1-methylpiperidin-4-yl)ethyl]-2-oxo-1H-pyridine-3-carboxamide
PubChem CID131911083
Molecular FormulaC21H27N3O3
Molecular Weight369.47 g/mol
Exact Mass369.21
IUPAC Name6-(4-methoxyphenyl)-N-[2-(1-methylpiperidin-4-yl)ethyl]-2-oxo-1H-pyridine-3-carboxamide
SMILESCOc1ccc(-c2ccc(C(=O)NCCC3CCN(C)CC3)c(=O)[nH]2)cc1
InChIInChI=1S/C21H27N3O3/c1-24-13-10-15(11-14-24)9-12-22-20(25)18-7-8-19(23-21(18)26)16-3-5-17(27-2)6-4-16/h3-8,15H,9-14H2,1-2H3,(H,22,25)(H,23,26)
InChIKeyDKXNGTQUULQKOL-UHFFFAOYSA-N
XLogP2.51
TPSA74.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(4-methoxyphenyl)-N-[2-(1-methylpiperidin-4-yl)ethyl]-2-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of 6-(4-methoxyphenyl)-N-[2-(1-methylpiperidin-4-yl)ethyl]-2-oxo-1H-pyridine-3-carboxamide (CID 131911083) is 6-(4-methoxyphenyl)-N-[2-(1-methylpiperidin-4-yl)ethyl]-2-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for 6-(4-methoxyphenyl)-N-[2-(1-methylpiperidin-4-yl)ethyl]-2-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for 6-(4-methoxyphenyl)-N-[2-(1-methylpiperidin-4-yl)ethyl]-2-oxo-1H-pyridine-3-carboxamide is COc1ccc(-c2ccc(C(=O)NCCC3CCN(C)CC3)c(=O)[nH]2)cc1.
What is the InChIKey of 6-(4-methoxyphenyl)-N-[2-(1-methylpiperidin-4-yl)ethyl]-2-oxo-1H-pyridine-3-carboxamide?
The InChIKey is DKXNGTQUULQKOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O3/c1-24-13-10-15(11-14-24)9-12-22-20(25)18-7-8-19(23-21(18)26)16-3-5-17(27-2)6-4-16/h3-8,15H,9-14H2,1-2H3,(H,22,25)(H,23,26).
What are the key properties of 6-(4-methoxyphenyl)-N-[2-(1-methylpiperidin-4-yl)ethyl]-2-oxo-1H-pyridine-3-carboxamide?
6-(4-methoxyphenyl)-N-[2-(1-methylpiperidin-4-yl)ethyl]-2-oxo-1H-pyridine-3-carboxamide has a molecular weight of 369.47 g/mol, XLogP of 2.51, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methoxyphenyl)-N-[2-(1-methylpiperidin-4-yl)ethyl]-2-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 131911083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).