1-benzyl-N-(2-methylphenyl)-4-oxo-2,6-dipropylpyridine-3-carboxamide

C26H30N2O2 — CID 23037900

IUPAC1-benzyl-N-(2-methylphenyl)-4-oxo-2,6-dipropylpyridine-3-carboxamide
SMILESCCCc1cc(=O)c(C(=O)Nc2ccccc2C)c(CCC)n1Cc1ccccc1
InChIInChI=1S/C26H30N2O2/c1-4-11-21-17-24(29)25(26(30)27-22-16-10-9-13-19(22)3)23(12-5-2)28(21)18-20-14-7-6-8-15-20/h6-10,13-17H,4-5,11-12,18H2,1-3H3,(H,27,30)
InChIKeyPGKYAPRYGXKHRF-UHFFFAOYSA-N
MW402.54 g/mol
LogP5.36
Rot. Bonds8

About 1-benzyl-N-(2-methylphenyl)-4-oxo-2,6-dipropylpyridine-3-carboxamide

1-benzyl-N-(2-methylphenyl)-4-oxo-2,6-dipropylpyridine-3-carboxamide (PubChem CID 23037900) has the molecular formula C26H30N2O2 and a molecular weight of 402.54 g/mol. Its IUPAC name is 1-benzyl-N-(2-methylphenyl)-4-oxo-2,6-dipropylpyridine-3-carboxamide.

Molecular Properties

Compound Name1-benzyl-N-(2-methylphenyl)-4-oxo-2,6-dipropylpyridine-3-carboxamide
PubChem CID23037900
Molecular FormulaC26H30N2O2
Molecular Weight402.54 g/mol
Exact Mass402.23
IUPAC Name1-benzyl-N-(2-methylphenyl)-4-oxo-2,6-dipropylpyridine-3-carboxamide
SMILESCCCc1cc(=O)c(C(=O)Nc2ccccc2C)c(CCC)n1Cc1ccccc1
InChIInChI=1S/C26H30N2O2/c1-4-11-21-17-24(29)25(26(30)27-22-16-10-9-13-19(22)3)23(12-5-2)28(21)18-20-14-7-6-8-15-20/h6-10,13-17H,4-5,11-12,18H2,1-3H3,(H,27,30)
InChIKeyPGKYAPRYGXKHRF-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 1-benzyl-N-(2-methylphenyl)-4-oxo-2,6-dipropylpyridine-3-carboxamide?
The IUPAC name of 1-benzyl-N-(2-methylphenyl)-4-oxo-2,6-dipropylpyridine-3-carboxamide (CID 23037900) is 1-benzyl-N-(2-methylphenyl)-4-oxo-2,6-dipropylpyridine-3-carboxamide.
What is the SMILES notation for 1-benzyl-N-(2-methylphenyl)-4-oxo-2,6-dipropylpyridine-3-carboxamide?
The canonical SMILES for 1-benzyl-N-(2-methylphenyl)-4-oxo-2,6-dipropylpyridine-3-carboxamide is CCCc1cc(=O)c(C(=O)Nc2ccccc2C)c(CCC)n1Cc1ccccc1.
What is the InChIKey of 1-benzyl-N-(2-methylphenyl)-4-oxo-2,6-dipropylpyridine-3-carboxamide?
The InChIKey is PGKYAPRYGXKHRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N2O2/c1-4-11-21-17-24(29)25(26(30)27-22-16-10-9-13-19(22)3)23(12-5-2)28(21)18-20-14-7-6-8-15-20/h6-10,13-17H,4-5,11-12,18H2,1-3H3,(H,27,30).
What are the key properties of 1-benzyl-N-(2-methylphenyl)-4-oxo-2,6-dipropylpyridine-3-carboxamide?
1-benzyl-N-(2-methylphenyl)-4-oxo-2,6-dipropylpyridine-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 1-benzyl-N-(2-methylphenyl)-4-oxo-2,6-dipropylpyridine-3-carboxamide is sourced from PubChem (CID 23037900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).