N-(2,6-diethyl-4-propan-2-ylphenyl)-1,5,6-trimethyl-4-oxo-2-propylpyridine-3-carboxamide

C25H36N2O2 — CID 23039980

IUPACN-(2,6-diethyl-4-propan-2-ylphenyl)-1,5,6-trimethyl-4-oxo-2-propylpyridine-3-carboxamide
SMILESCCCc1c(C(=O)Nc2c(CC)cc(C(C)C)cc2CC)c(=O)c(C)c(C)n1C
InChIInChI=1S/C25H36N2O2/c1-9-12-21-22(24(28)16(6)17(7)27(21)8)25(29)26-23-18(10-2)13-20(15(4)5)14-19(23)11-3/h13-15H,9-12H2,1-8H3,(H,26,29)
InChIKeyNIYSJARKPFZJJX-UHFFFAOYSA-N
MW396.58 g/mol
LogP5.46
Rot. Bonds7

About N-(2,6-diethyl-4-propan-2-ylphenyl)-1,5,6-trimethyl-4-oxo-2-propylpyridine-3-carboxamide

N-(2,6-diethyl-4-propan-2-ylphenyl)-1,5,6-trimethyl-4-oxo-2-propylpyridine-3-carboxamide (PubChem CID 23039980) has the molecular formula C25H36N2O2 and a molecular weight of 396.58 g/mol. Its IUPAC name is N-(2,6-diethyl-4-propan-2-ylphenyl)-1,5,6-trimethyl-4-oxo-2-propylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2,6-diethyl-4-propan-2-ylphenyl)-1,5,6-trimethyl-4-oxo-2-propylpyridine-3-carboxamide
PubChem CID23039980
Molecular FormulaC25H36N2O2
Molecular Weight396.58 g/mol
Exact Mass396.28
IUPAC NameN-(2,6-diethyl-4-propan-2-ylphenyl)-1,5,6-trimethyl-4-oxo-2-propylpyridine-3-carboxamide
SMILESCCCc1c(C(=O)Nc2c(CC)cc(C(C)C)cc2CC)c(=O)c(C)c(C)n1C
InChIInChI=1S/C25H36N2O2/c1-9-12-21-22(24(28)16(6)17(7)27(21)8)25(29)26-23-18(10-2)13-20(15(4)5)14-19(23)11-3/h13-15H,9-12H2,1-8H3,(H,26,29)
InChIKeyNIYSJARKPFZJJX-UHFFFAOYSA-N
XLogP5.46
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.58
LogP ≤ 55.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2,6-diethyl-4-propan-2-ylphenyl)-1,5,6-trimethyl-4-oxo-2-propylpyridine-3-carboxamide?
The IUPAC name of N-(2,6-diethyl-4-propan-2-ylphenyl)-1,5,6-trimethyl-4-oxo-2-propylpyridine-3-carboxamide (CID 23039980) is N-(2,6-diethyl-4-propan-2-ylphenyl)-1,5,6-trimethyl-4-oxo-2-propylpyridine-3-carboxamide.
What is the SMILES notation for N-(2,6-diethyl-4-propan-2-ylphenyl)-1,5,6-trimethyl-4-oxo-2-propylpyridine-3-carboxamide?
The canonical SMILES for N-(2,6-diethyl-4-propan-2-ylphenyl)-1,5,6-trimethyl-4-oxo-2-propylpyridine-3-carboxamide is CCCc1c(C(=O)Nc2c(CC)cc(C(C)C)cc2CC)c(=O)c(C)c(C)n1C.
What is the InChIKey of N-(2,6-diethyl-4-propan-2-ylphenyl)-1,5,6-trimethyl-4-oxo-2-propylpyridine-3-carboxamide?
The InChIKey is NIYSJARKPFZJJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H36N2O2/c1-9-12-21-22(24(28)16(6)17(7)27(21)8)25(29)26-23-18(10-2)13-20(15(4)5)14-19(23)11-3/h13-15H,9-12H2,1-8H3,(H,26,29).
What are the key properties of N-(2,6-diethyl-4-propan-2-ylphenyl)-1,5,6-trimethyl-4-oxo-2-propylpyridine-3-carboxamide?
N-(2,6-diethyl-4-propan-2-ylphenyl)-1,5,6-trimethyl-4-oxo-2-propylpyridine-3-carboxamide has a molecular weight of 396.58 g/mol, XLogP of 5.46, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-diethyl-4-propan-2-ylphenyl)-1,5,6-trimethyl-4-oxo-2-propylpyridine-3-carboxamide is sourced from PubChem (CID 23039980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).