1-(cyclohexylmethyl)-5-N-[(1-methylpiperidin-3-yl)methyl]-4-oxo-3-N-propan-2-ylpyridine-3,5-dicarboxamide

C24H38N4O3 — CID 45222441

IUPAC1-(cyclohexylmethyl)-5-N-[(1-methylpiperidin-3-yl)methyl]-4-oxo-3-N-propan-2-ylpyridine-3,5-dicarboxamide
SMILESCC(C)NC(=O)c1cn(CC2CCCCC2)cc(C(=O)NCC2CCCN(C)C2)c1=O
InChIInChI=1S/C24H38N4O3/c1-17(2)26-24(31)21-16-28(14-18-8-5-4-6-9-18)15-20(22(21)29)23(30)25-12-19-10-7-11-27(3)13-19/h15-19H,4-14H2,1-3H3,(H,25,30)(H,26,31)
InChIKeyNHTQZQKYVFHVPI-UHFFFAOYSA-N
MW430.59 g/mol
LogP2.64
Rot. Bonds7

About 1-(cyclohexylmethyl)-5-N-[(1-methylpiperidin-3-yl)methyl]-4-oxo-3-N-propan-2-ylpyridine-3,5-dicarboxamide

1-(cyclohexylmethyl)-5-N-[(1-methylpiperidin-3-yl)methyl]-4-oxo-3-N-propan-2-ylpyridine-3,5-dicarboxamide (PubChem CID 45222441) has the molecular formula C24H38N4O3 and a molecular weight of 430.59 g/mol. Its IUPAC name is 1-(cyclohexylmethyl)-5-N-[(1-methylpiperidin-3-yl)methyl]-4-oxo-3-N-propan-2-ylpyridine-3,5-dicarboxamide.

Molecular Properties

Compound Name1-(cyclohexylmethyl)-5-N-[(1-methylpiperidin-3-yl)methyl]-4-oxo-3-N-propan-2-ylpyridine-3,5-dicarboxamide
PubChem CID45222441
Molecular FormulaC24H38N4O3
Molecular Weight430.59 g/mol
Exact Mass430.29
IUPAC Name1-(cyclohexylmethyl)-5-N-[(1-methylpiperidin-3-yl)methyl]-4-oxo-3-N-propan-2-ylpyridine-3,5-dicarboxamide
SMILESCC(C)NC(=O)c1cn(CC2CCCCC2)cc(C(=O)NCC2CCCN(C)C2)c1=O
InChIInChI=1S/C24H38N4O3/c1-17(2)26-24(31)21-16-28(14-18-8-5-4-6-9-18)15-20(22(21)29)23(30)25-12-19-10-7-11-27(3)13-19/h15-19H,4-14H2,1-3H3,(H,25,30)(H,26,31)
InChIKeyNHTQZQKYVFHVPI-UHFFFAOYSA-N
XLogP2.64
TPSA83.44 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.59
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexylmethyl)-5-N-[(1-methylpiperidin-3-yl)methyl]-4-oxo-3-N-propan-2-ylpyridine-3,5-dicarboxamide?
The IUPAC name of 1-(cyclohexylmethyl)-5-N-[(1-methylpiperidin-3-yl)methyl]-4-oxo-3-N-propan-2-ylpyridine-3,5-dicarboxamide (CID 45222441) is 1-(cyclohexylmethyl)-5-N-[(1-methylpiperidin-3-yl)methyl]-4-oxo-3-N-propan-2-ylpyridine-3,5-dicarboxamide.
What is the SMILES notation for 1-(cyclohexylmethyl)-5-N-[(1-methylpiperidin-3-yl)methyl]-4-oxo-3-N-propan-2-ylpyridine-3,5-dicarboxamide?
The canonical SMILES for 1-(cyclohexylmethyl)-5-N-[(1-methylpiperidin-3-yl)methyl]-4-oxo-3-N-propan-2-ylpyridine-3,5-dicarboxamide is CC(C)NC(=O)c1cn(CC2CCCCC2)cc(C(=O)NCC2CCCN(C)C2)c1=O.
What is the InChIKey of 1-(cyclohexylmethyl)-5-N-[(1-methylpiperidin-3-yl)methyl]-4-oxo-3-N-propan-2-ylpyridine-3,5-dicarboxamide?
The InChIKey is NHTQZQKYVFHVPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H38N4O3/c1-17(2)26-24(31)21-16-28(14-18-8-5-4-6-9-18)15-20(22(21)29)23(30)25-12-19-10-7-11-27(3)13-19/h15-19H,4-14H2,1-3H3,(H,25,30)(H,26,31).
What are the key properties of 1-(cyclohexylmethyl)-5-N-[(1-methylpiperidin-3-yl)methyl]-4-oxo-3-N-propan-2-ylpyridine-3,5-dicarboxamide?
1-(cyclohexylmethyl)-5-N-[(1-methylpiperidin-3-yl)methyl]-4-oxo-3-N-propan-2-ylpyridine-3,5-dicarboxamide has a molecular weight of 430.59 g/mol, XLogP of 2.64, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexylmethyl)-5-N-[(1-methylpiperidin-3-yl)methyl]-4-oxo-3-N-propan-2-ylpyridine-3,5-dicarboxamide is sourced from PubChem (CID 45222441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).