1-methyl-N-[1-[[1-(4-methylphenyl)cyclohexyl]methyl]piperidin-4-yl]-6-oxopyridine-3-carboxamide

C26H35N3O2 — CID 46962997

IUPAC1-methyl-N-[1-[[1-(4-methylphenyl)cyclohexyl]methyl]piperidin-4-yl]-6-oxopyridine-3-carboxamide
SMILESCc1ccc(C2(CN3CCC(NC(=O)c4ccc(=O)n(C)c4)CC3)CCCCC2)cc1
InChIInChI=1S/C26H35N3O2/c1-20-6-9-22(10-7-20)26(14-4-3-5-15-26)19-29-16-12-23(13-17-29)27-25(31)21-8-11-24(30)28(2)18-21/h6-11,18,23H,3-5,12-17,19H2,1-2H3,(H,27,31)
InChIKeyWCAKIWPCBXTDIK-UHFFFAOYSA-N
MW421.59 g/mol
LogP3.79
Rot. Bonds5

About 1-methyl-N-[1-[[1-(4-methylphenyl)cyclohexyl]methyl]piperidin-4-yl]-6-oxopyridine-3-carboxamide

1-methyl-N-[1-[[1-(4-methylphenyl)cyclohexyl]methyl]piperidin-4-yl]-6-oxopyridine-3-carboxamide (PubChem CID 46962997) has the molecular formula C26H35N3O2 and a molecular weight of 421.59 g/mol. Its IUPAC name is 1-methyl-N-[1-[[1-(4-methylphenyl)cyclohexyl]methyl]piperidin-4-yl]-6-oxopyridine-3-carboxamide.

Molecular Properties

Compound Name1-methyl-N-[1-[[1-(4-methylphenyl)cyclohexyl]methyl]piperidin-4-yl]-6-oxopyridine-3-carboxamide
PubChem CID46962997
Molecular FormulaC26H35N3O2
Molecular Weight421.59 g/mol
Exact Mass421.27
IUPAC Name1-methyl-N-[1-[[1-(4-methylphenyl)cyclohexyl]methyl]piperidin-4-yl]-6-oxopyridine-3-carboxamide
SMILESCc1ccc(C2(CN3CCC(NC(=O)c4ccc(=O)n(C)c4)CC3)CCCCC2)cc1
InChIInChI=1S/C26H35N3O2/c1-20-6-9-22(10-7-20)26(14-4-3-5-15-26)19-29-16-12-23(13-17-29)27-25(31)21-8-11-24(30)28(2)18-21/h6-11,18,23H,3-5,12-17,19H2,1-2H3,(H,27,31)
InChIKeyWCAKIWPCBXTDIK-UHFFFAOYSA-N
XLogP3.79
TPSA54.34 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.59
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[1-[[1-(4-methylphenyl)cyclohexyl]methyl]piperidin-4-yl]-6-oxopyridine-3-carboxamide?
The IUPAC name of 1-methyl-N-[1-[[1-(4-methylphenyl)cyclohexyl]methyl]piperidin-4-yl]-6-oxopyridine-3-carboxamide (CID 46962997) is 1-methyl-N-[1-[[1-(4-methylphenyl)cyclohexyl]methyl]piperidin-4-yl]-6-oxopyridine-3-carboxamide.
What is the SMILES notation for 1-methyl-N-[1-[[1-(4-methylphenyl)cyclohexyl]methyl]piperidin-4-yl]-6-oxopyridine-3-carboxamide?
The canonical SMILES for 1-methyl-N-[1-[[1-(4-methylphenyl)cyclohexyl]methyl]piperidin-4-yl]-6-oxopyridine-3-carboxamide is Cc1ccc(C2(CN3CCC(NC(=O)c4ccc(=O)n(C)c4)CC3)CCCCC2)cc1.
What is the InChIKey of 1-methyl-N-[1-[[1-(4-methylphenyl)cyclohexyl]methyl]piperidin-4-yl]-6-oxopyridine-3-carboxamide?
The InChIKey is WCAKIWPCBXTDIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35N3O2/c1-20-6-9-22(10-7-20)26(14-4-3-5-15-26)19-29-16-12-23(13-17-29)27-25(31)21-8-11-24(30)28(2)18-21/h6-11,18,23H,3-5,12-17,19H2,1-2H3,(H,27,31).
What are the key properties of 1-methyl-N-[1-[[1-(4-methylphenyl)cyclohexyl]methyl]piperidin-4-yl]-6-oxopyridine-3-carboxamide?
1-methyl-N-[1-[[1-(4-methylphenyl)cyclohexyl]methyl]piperidin-4-yl]-6-oxopyridine-3-carboxamide has a molecular weight of 421.59 g/mol, XLogP of 3.79, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[1-[[1-(4-methylphenyl)cyclohexyl]methyl]piperidin-4-yl]-6-oxopyridine-3-carboxamide is sourced from PubChem (CID 46962997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).