N-(4-amino-2,6-diethylphenyl)-2-butyl-1,5,6-trimethyl-4-oxopyridine-3-carboxamide

C23H33N3O2 — CID 23040350

IUPACN-(4-amino-2,6-diethylphenyl)-2-butyl-1,5,6-trimethyl-4-oxopyridine-3-carboxamide
SMILESCCCCc1c(C(=O)Nc2c(CC)cc(N)cc2CC)c(=O)c(C)c(C)n1C
InChIInChI=1S/C23H33N3O2/c1-7-10-11-19-20(22(27)14(4)15(5)26(19)6)23(28)25-21-16(8-2)12-18(24)13-17(21)9-3/h12-13H,7-11,24H2,1-6H3,(H,25,28)
InChIKeyGHZPFONWJZGIDV-UHFFFAOYSA-N
MW383.54 g/mol
LogP4.30
Rot. Bonds7

About N-(4-amino-2,6-diethylphenyl)-2-butyl-1,5,6-trimethyl-4-oxopyridine-3-carboxamide

N-(4-amino-2,6-diethylphenyl)-2-butyl-1,5,6-trimethyl-4-oxopyridine-3-carboxamide (PubChem CID 23040350) has the molecular formula C23H33N3O2 and a molecular weight of 383.54 g/mol. Its IUPAC name is N-(4-amino-2,6-diethylphenyl)-2-butyl-1,5,6-trimethyl-4-oxopyridine-3-carboxamide.

Molecular Properties

Compound NameN-(4-amino-2,6-diethylphenyl)-2-butyl-1,5,6-trimethyl-4-oxopyridine-3-carboxamide
PubChem CID23040350
Molecular FormulaC23H33N3O2
Molecular Weight383.54 g/mol
Exact Mass383.26
IUPAC NameN-(4-amino-2,6-diethylphenyl)-2-butyl-1,5,6-trimethyl-4-oxopyridine-3-carboxamide
SMILESCCCCc1c(C(=O)Nc2c(CC)cc(N)cc2CC)c(=O)c(C)c(C)n1C
InChIInChI=1S/C23H33N3O2/c1-7-10-11-19-20(22(27)14(4)15(5)26(19)6)23(28)25-21-16(8-2)12-18(24)13-17(21)9-3/h12-13H,7-11,24H2,1-6H3,(H,25,28)
InChIKeyGHZPFONWJZGIDV-UHFFFAOYSA-N
XLogP4.30
TPSA77.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.54
LogP ≤ 54.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(4-amino-2,6-diethylphenyl)-2-butyl-1,5,6-trimethyl-4-oxopyridine-3-carboxamide?
The IUPAC name of N-(4-amino-2,6-diethylphenyl)-2-butyl-1,5,6-trimethyl-4-oxopyridine-3-carboxamide (CID 23040350) is N-(4-amino-2,6-diethylphenyl)-2-butyl-1,5,6-trimethyl-4-oxopyridine-3-carboxamide.
What is the SMILES notation for N-(4-amino-2,6-diethylphenyl)-2-butyl-1,5,6-trimethyl-4-oxopyridine-3-carboxamide?
The canonical SMILES for N-(4-amino-2,6-diethylphenyl)-2-butyl-1,5,6-trimethyl-4-oxopyridine-3-carboxamide is CCCCc1c(C(=O)Nc2c(CC)cc(N)cc2CC)c(=O)c(C)c(C)n1C.
What is the InChIKey of N-(4-amino-2,6-diethylphenyl)-2-butyl-1,5,6-trimethyl-4-oxopyridine-3-carboxamide?
The InChIKey is GHZPFONWJZGIDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33N3O2/c1-7-10-11-19-20(22(27)14(4)15(5)26(19)6)23(28)25-21-16(8-2)12-18(24)13-17(21)9-3/h12-13H,7-11,24H2,1-6H3,(H,25,28).
What are the key properties of N-(4-amino-2,6-diethylphenyl)-2-butyl-1,5,6-trimethyl-4-oxopyridine-3-carboxamide?
N-(4-amino-2,6-diethylphenyl)-2-butyl-1,5,6-trimethyl-4-oxopyridine-3-carboxamide has a molecular weight of 383.54 g/mol, XLogP of 4.30, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-2,6-diethylphenyl)-2-butyl-1,5,6-trimethyl-4-oxopyridine-3-carboxamide is sourced from PubChem (CID 23040350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).