4-methyl-2-oxo-1-piperidin-4-yl-N-(1,2,3,4-tetrahydronaphthalen-2-yl)pyridine-3-carboxamide;hydrochloride

C22H28ClN3O2 — CID 172909927

IUPAC4-methyl-2-oxo-1-piperidin-4-yl-N-(1,2,3,4-tetrahydronaphthalen-2-yl)pyridine-3-carboxamide;hydrochloride
SMILESCc1ccn(C2CCNCC2)c(=O)c1C(=O)NC1CCc2ccccc2C1.Cl
InChIInChI=1S/C22H27N3O2.ClH/c1-15-10-13-25(19-8-11-23-12-9-19)22(27)20(15)21(26)24-18-7-6-16-4-2-3-5-17(16)14-18;/h2-5,10,13,18-19,23H,6-9,11-12,14H2,1H3,(H,24,26);1H
InChIKeyWEISGLQISCWRTA-UHFFFAOYSA-N
MW401.94 g/mol
LogP2.79
Rot. Bonds3

About 4-methyl-2-oxo-1-piperidin-4-yl-N-(1,2,3,4-tetrahydronaphthalen-2-yl)pyridine-3-carboxamide;hydrochloride

4-methyl-2-oxo-1-piperidin-4-yl-N-(1,2,3,4-tetrahydronaphthalen-2-yl)pyridine-3-carboxamide;hydrochloride (PubChem CID 172909927) has the molecular formula C22H28ClN3O2 and a molecular weight of 401.94 g/mol. Its IUPAC name is 4-methyl-2-oxo-1-piperidin-4-yl-N-(1,2,3,4-tetrahydronaphthalen-2-yl)pyridine-3-carboxamide;hydrochloride.

Molecular Properties

Compound Name4-methyl-2-oxo-1-piperidin-4-yl-N-(1,2,3,4-tetrahydronaphthalen-2-yl)pyridine-3-carboxamide;hydrochloride
PubChem CID172909927
Molecular FormulaC22H28ClN3O2
Molecular Weight401.94 g/mol
Exact Mass401.19
IUPAC Name4-methyl-2-oxo-1-piperidin-4-yl-N-(1,2,3,4-tetrahydronaphthalen-2-yl)pyridine-3-carboxamide;hydrochloride
SMILESCc1ccn(C2CCNCC2)c(=O)c1C(=O)NC1CCc2ccccc2C1.Cl
InChIInChI=1S/C22H27N3O2.ClH/c1-15-10-13-25(19-8-11-23-12-9-19)22(27)20(15)21(26)24-18-7-6-16-4-2-3-5-17(16)14-18;/h2-5,10,13,18-19,23H,6-9,11-12,14H2,1H3,(H,24,26);1H
InChIKeyWEISGLQISCWRTA-UHFFFAOYSA-N
XLogP2.79
TPSA63.13 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.94
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-oxo-1-piperidin-4-yl-N-(1,2,3,4-tetrahydronaphthalen-2-yl)pyridine-3-carboxamide;hydrochloride?
The IUPAC name of 4-methyl-2-oxo-1-piperidin-4-yl-N-(1,2,3,4-tetrahydronaphthalen-2-yl)pyridine-3-carboxamide;hydrochloride (CID 172909927) is 4-methyl-2-oxo-1-piperidin-4-yl-N-(1,2,3,4-tetrahydronaphthalen-2-yl)pyridine-3-carboxamide;hydrochloride.
What is the SMILES notation for 4-methyl-2-oxo-1-piperidin-4-yl-N-(1,2,3,4-tetrahydronaphthalen-2-yl)pyridine-3-carboxamide;hydrochloride?
The canonical SMILES for 4-methyl-2-oxo-1-piperidin-4-yl-N-(1,2,3,4-tetrahydronaphthalen-2-yl)pyridine-3-carboxamide;hydrochloride is Cc1ccn(C2CCNCC2)c(=O)c1C(=O)NC1CCc2ccccc2C1.Cl.
What is the InChIKey of 4-methyl-2-oxo-1-piperidin-4-yl-N-(1,2,3,4-tetrahydronaphthalen-2-yl)pyridine-3-carboxamide;hydrochloride?
The InChIKey is WEISGLQISCWRTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O2.ClH/c1-15-10-13-25(19-8-11-23-12-9-19)22(27)20(15)21(26)24-18-7-6-16-4-2-3-5-17(16)14-18;/h2-5,10,13,18-19,23H,6-9,11-12,14H2,1H3,(H,24,26);1H.
What are the key properties of 4-methyl-2-oxo-1-piperidin-4-yl-N-(1,2,3,4-tetrahydronaphthalen-2-yl)pyridine-3-carboxamide;hydrochloride?
4-methyl-2-oxo-1-piperidin-4-yl-N-(1,2,3,4-tetrahydronaphthalen-2-yl)pyridine-3-carboxamide;hydrochloride has a molecular weight of 401.94 g/mol, XLogP of 2.79, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-oxo-1-piperidin-4-yl-N-(1,2,3,4-tetrahydronaphthalen-2-yl)pyridine-3-carboxamide;hydrochloride is sourced from PubChem (CID 172909927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).