3-N-tert-butyl-1-cyclohexyl-5-N-[[(3R)-1-methylpiperidin-3-yl]methyl]-4-oxopyridine-3,5-dicarboxamide

C24H38N4O3 — CID 26349853

IUPAC3-N-tert-butyl-1-cyclohexyl-5-N-[[(3R)-1-methylpiperidin-3-yl]methyl]-4-oxopyridine-3,5-dicarboxamide
SMILESCN1CCC[C@H](CNC(=O)c2cn(C3CCCCC3)cc(C(=O)NC(C)(C)C)c2=O)C1
InChIInChI=1S/C24H38N4O3/c1-24(2,3)26-23(31)20-16-28(18-10-6-5-7-11-18)15-19(21(20)29)22(30)25-13-17-9-8-12-27(4)14-17/h15-18H,5-14H2,1-4H3,(H,25,30)(H,26,31)/t17-/m1/s1
InChIKeyFLXKNKBMMNQVGM-QGZVFWFLSA-N
MW430.59 g/mol
LogP2.95
Rot. Bonds5

About 3-N-tert-butyl-1-cyclohexyl-5-N-[[(3R)-1-methylpiperidin-3-yl]methyl]-4-oxopyridine-3,5-dicarboxamide

3-N-tert-butyl-1-cyclohexyl-5-N-[[(3R)-1-methylpiperidin-3-yl]methyl]-4-oxopyridine-3,5-dicarboxamide (PubChem CID 26349853) has the molecular formula C24H38N4O3 and a molecular weight of 430.59 g/mol. Its IUPAC name is 3-N-tert-butyl-1-cyclohexyl-5-N-[[(3R)-1-methylpiperidin-3-yl]methyl]-4-oxopyridine-3,5-dicarboxamide.

Molecular Properties

Compound Name3-N-tert-butyl-1-cyclohexyl-5-N-[[(3R)-1-methylpiperidin-3-yl]methyl]-4-oxopyridine-3,5-dicarboxamide
PubChem CID26349853
Molecular FormulaC24H38N4O3
Molecular Weight430.59 g/mol
Exact Mass430.29
IUPAC Name3-N-tert-butyl-1-cyclohexyl-5-N-[[(3R)-1-methylpiperidin-3-yl]methyl]-4-oxopyridine-3,5-dicarboxamide
SMILESCN1CCC[C@H](CNC(=O)c2cn(C3CCCCC3)cc(C(=O)NC(C)(C)C)c2=O)C1
InChIInChI=1S/C24H38N4O3/c1-24(2,3)26-23(31)20-16-28(18-10-6-5-7-11-18)15-19(21(20)29)22(30)25-13-17-9-8-12-27(4)14-17/h15-18H,5-14H2,1-4H3,(H,25,30)(H,26,31)/t17-/m1/s1
InChIKeyFLXKNKBMMNQVGM-QGZVFWFLSA-N
XLogP2.95
TPSA83.44 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.59
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-N-tert-butyl-1-cyclohexyl-5-N-[[(3R)-1-methylpiperidin-3-yl]methyl]-4-oxopyridine-3,5-dicarboxamide?
The IUPAC name of 3-N-tert-butyl-1-cyclohexyl-5-N-[[(3R)-1-methylpiperidin-3-yl]methyl]-4-oxopyridine-3,5-dicarboxamide (CID 26349853) is 3-N-tert-butyl-1-cyclohexyl-5-N-[[(3R)-1-methylpiperidin-3-yl]methyl]-4-oxopyridine-3,5-dicarboxamide.
What is the SMILES notation for 3-N-tert-butyl-1-cyclohexyl-5-N-[[(3R)-1-methylpiperidin-3-yl]methyl]-4-oxopyridine-3,5-dicarboxamide?
The canonical SMILES for 3-N-tert-butyl-1-cyclohexyl-5-N-[[(3R)-1-methylpiperidin-3-yl]methyl]-4-oxopyridine-3,5-dicarboxamide is CN1CCC[C@H](CNC(=O)c2cn(C3CCCCC3)cc(C(=O)NC(C)(C)C)c2=O)C1.
What is the InChIKey of 3-N-tert-butyl-1-cyclohexyl-5-N-[[(3R)-1-methylpiperidin-3-yl]methyl]-4-oxopyridine-3,5-dicarboxamide?
The InChIKey is FLXKNKBMMNQVGM-QGZVFWFLSA-N. The full InChI is InChI=1S/C24H38N4O3/c1-24(2,3)26-23(31)20-16-28(18-10-6-5-7-11-18)15-19(21(20)29)22(30)25-13-17-9-8-12-27(4)14-17/h15-18H,5-14H2,1-4H3,(H,25,30)(H,26,31)/t17-/m1/s1.
What are the key properties of 3-N-tert-butyl-1-cyclohexyl-5-N-[[(3R)-1-methylpiperidin-3-yl]methyl]-4-oxopyridine-3,5-dicarboxamide?
3-N-tert-butyl-1-cyclohexyl-5-N-[[(3R)-1-methylpiperidin-3-yl]methyl]-4-oxopyridine-3,5-dicarboxamide has a molecular weight of 430.59 g/mol, XLogP of 2.95, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-tert-butyl-1-cyclohexyl-5-N-[[(3R)-1-methylpiperidin-3-yl]methyl]-4-oxopyridine-3,5-dicarboxamide is sourced from PubChem (CID 26349853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).