2-butyl-6-ethyl-1-[(4-methylphenyl)methyl]-4-oxo-N-phenylpyridine-3-carboxamide

C26H30N2O2 — CID 23040020

IUPAC2-butyl-6-ethyl-1-[(4-methylphenyl)methyl]-4-oxo-N-phenylpyridine-3-carboxamide
SMILESCCCCc1c(C(=O)Nc2ccccc2)c(=O)cc(CC)n1Cc1ccc(C)cc1
InChIInChI=1S/C26H30N2O2/c1-4-6-12-23-25(26(30)27-21-10-8-7-9-11-21)24(29)17-22(5-2)28(23)18-20-15-13-19(3)14-16-20/h7-11,13-17H,4-6,12,18H2,1-3H3,(H,27,30)
InChIKeyQPNDTCABXJJNBQ-UHFFFAOYSA-N
MW402.54 g/mol
LogP5.36
Rot. Bonds8

About 2-butyl-6-ethyl-1-[(4-methylphenyl)methyl]-4-oxo-N-phenylpyridine-3-carboxamide

2-butyl-6-ethyl-1-[(4-methylphenyl)methyl]-4-oxo-N-phenylpyridine-3-carboxamide (PubChem CID 23040020) has the molecular formula C26H30N2O2 and a molecular weight of 402.54 g/mol. Its IUPAC name is 2-butyl-6-ethyl-1-[(4-methylphenyl)methyl]-4-oxo-N-phenylpyridine-3-carboxamide.

Molecular Properties

Compound Name2-butyl-6-ethyl-1-[(4-methylphenyl)methyl]-4-oxo-N-phenylpyridine-3-carboxamide
PubChem CID23040020
Molecular FormulaC26H30N2O2
Molecular Weight402.54 g/mol
Exact Mass402.23
IUPAC Name2-butyl-6-ethyl-1-[(4-methylphenyl)methyl]-4-oxo-N-phenylpyridine-3-carboxamide
SMILESCCCCc1c(C(=O)Nc2ccccc2)c(=O)cc(CC)n1Cc1ccc(C)cc1
InChIInChI=1S/C26H30N2O2/c1-4-6-12-23-25(26(30)27-21-10-8-7-9-11-21)24(29)17-22(5-2)28(23)18-20-15-13-19(3)14-16-20/h7-11,13-17H,4-6,12,18H2,1-3H3,(H,27,30)
InChIKeyQPNDTCABXJJNBQ-UHFFFAOYSA-N
XLogP5.36
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.54
LogP ≤ 55.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-butyl-6-ethyl-1-[(4-methylphenyl)methyl]-4-oxo-N-phenylpyridine-3-carboxamide?
The IUPAC name of 2-butyl-6-ethyl-1-[(4-methylphenyl)methyl]-4-oxo-N-phenylpyridine-3-carboxamide (CID 23040020) is 2-butyl-6-ethyl-1-[(4-methylphenyl)methyl]-4-oxo-N-phenylpyridine-3-carboxamide.
What is the SMILES notation for 2-butyl-6-ethyl-1-[(4-methylphenyl)methyl]-4-oxo-N-phenylpyridine-3-carboxamide?
The canonical SMILES for 2-butyl-6-ethyl-1-[(4-methylphenyl)methyl]-4-oxo-N-phenylpyridine-3-carboxamide is CCCCc1c(C(=O)Nc2ccccc2)c(=O)cc(CC)n1Cc1ccc(C)cc1.
What is the InChIKey of 2-butyl-6-ethyl-1-[(4-methylphenyl)methyl]-4-oxo-N-phenylpyridine-3-carboxamide?
The InChIKey is QPNDTCABXJJNBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N2O2/c1-4-6-12-23-25(26(30)27-21-10-8-7-9-11-21)24(29)17-22(5-2)28(23)18-20-15-13-19(3)14-16-20/h7-11,13-17H,4-6,12,18H2,1-3H3,(H,27,30).
What are the key properties of 2-butyl-6-ethyl-1-[(4-methylphenyl)methyl]-4-oxo-N-phenylpyridine-3-carboxamide?
2-butyl-6-ethyl-1-[(4-methylphenyl)methyl]-4-oxo-N-phenylpyridine-3-carboxamide has a molecular weight of 402.54 g/mol, XLogP of 5.36, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-6-ethyl-1-[(4-methylphenyl)methyl]-4-oxo-N-phenylpyridine-3-carboxamide is sourced from PubChem (CID 23040020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).