2-butyl-N-(2,6-diethyl-4-propan-2-ylphenyl)-5-ethyl-1,6-dimethyl-4-oxopyridine-3-carboxamide

C27H40N2O2 — CID 23040444

IUPAC2-butyl-N-(2,6-diethyl-4-propan-2-ylphenyl)-5-ethyl-1,6-dimethyl-4-oxopyridine-3-carboxamide
SMILESCCCCc1c(C(=O)Nc2c(CC)cc(C(C)C)cc2CC)c(=O)c(CC)c(C)n1C
InChIInChI=1S/C27H40N2O2/c1-9-13-14-23-24(26(30)22(12-4)18(7)29(23)8)27(31)28-25-19(10-2)15-21(17(5)6)16-20(25)11-3/h15-17H,9-14H2,1-8H3,(H,28,31)
InChIKeyPFBLUAOKVOMDKI-UHFFFAOYSA-N
MW424.63 g/mol
LogP6.10
Rot. Bonds9

About 2-butyl-N-(2,6-diethyl-4-propan-2-ylphenyl)-5-ethyl-1,6-dimethyl-4-oxopyridine-3-carboxamide

2-butyl-N-(2,6-diethyl-4-propan-2-ylphenyl)-5-ethyl-1,6-dimethyl-4-oxopyridine-3-carboxamide (PubChem CID 23040444) has the molecular formula C27H40N2O2 and a molecular weight of 424.63 g/mol. Its IUPAC name is 2-butyl-N-(2,6-diethyl-4-propan-2-ylphenyl)-5-ethyl-1,6-dimethyl-4-oxopyridine-3-carboxamide.

Molecular Properties

Compound Name2-butyl-N-(2,6-diethyl-4-propan-2-ylphenyl)-5-ethyl-1,6-dimethyl-4-oxopyridine-3-carboxamide
PubChem CID23040444
Molecular FormulaC27H40N2O2
Molecular Weight424.63 g/mol
Exact Mass424.31
IUPAC Name2-butyl-N-(2,6-diethyl-4-propan-2-ylphenyl)-5-ethyl-1,6-dimethyl-4-oxopyridine-3-carboxamide
SMILESCCCCc1c(C(=O)Nc2c(CC)cc(C(C)C)cc2CC)c(=O)c(CC)c(C)n1C
InChIInChI=1S/C27H40N2O2/c1-9-13-14-23-24(26(30)22(12-4)18(7)29(23)8)27(31)28-25-19(10-2)15-21(17(5)6)16-20(25)11-3/h15-17H,9-14H2,1-8H3,(H,28,31)
InChIKeyPFBLUAOKVOMDKI-UHFFFAOYSA-N
XLogP6.10
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.63
LogP ≤ 56.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-butyl-N-(2,6-diethyl-4-propan-2-ylphenyl)-5-ethyl-1,6-dimethyl-4-oxopyridine-3-carboxamide?
The IUPAC name of 2-butyl-N-(2,6-diethyl-4-propan-2-ylphenyl)-5-ethyl-1,6-dimethyl-4-oxopyridine-3-carboxamide (CID 23040444) is 2-butyl-N-(2,6-diethyl-4-propan-2-ylphenyl)-5-ethyl-1,6-dimethyl-4-oxopyridine-3-carboxamide.
What is the SMILES notation for 2-butyl-N-(2,6-diethyl-4-propan-2-ylphenyl)-5-ethyl-1,6-dimethyl-4-oxopyridine-3-carboxamide?
The canonical SMILES for 2-butyl-N-(2,6-diethyl-4-propan-2-ylphenyl)-5-ethyl-1,6-dimethyl-4-oxopyridine-3-carboxamide is CCCCc1c(C(=O)Nc2c(CC)cc(C(C)C)cc2CC)c(=O)c(CC)c(C)n1C.
What is the InChIKey of 2-butyl-N-(2,6-diethyl-4-propan-2-ylphenyl)-5-ethyl-1,6-dimethyl-4-oxopyridine-3-carboxamide?
The InChIKey is PFBLUAOKVOMDKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H40N2O2/c1-9-13-14-23-24(26(30)22(12-4)18(7)29(23)8)27(31)28-25-19(10-2)15-21(17(5)6)16-20(25)11-3/h15-17H,9-14H2,1-8H3,(H,28,31).
What are the key properties of 2-butyl-N-(2,6-diethyl-4-propan-2-ylphenyl)-5-ethyl-1,6-dimethyl-4-oxopyridine-3-carboxamide?
2-butyl-N-(2,6-diethyl-4-propan-2-ylphenyl)-5-ethyl-1,6-dimethyl-4-oxopyridine-3-carboxamide has a molecular weight of 424.63 g/mol, XLogP of 6.10, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-N-(2,6-diethyl-4-propan-2-ylphenyl)-5-ethyl-1,6-dimethyl-4-oxopyridine-3-carboxamide is sourced from PubChem (CID 23040444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).