N-(1-butyl-5,6-dimethyl-2-oxo-3-pyridinyl)-2,5-dimethylbenzamide

C20H26N2O2 — CID 23587977

IUPACN-(1-butyl-5,6-dimethyl-2-oxo-3-pyridinyl)-2,5-dimethylbenzamide
SMILESCCCCn1c(C)c(C)cc(NC(=O)c2cc(C)ccc2C)c1=O
InChIInChI=1S/C20H26N2O2/c1-6-7-10-22-16(5)15(4)12-18(20(22)24)21-19(23)17-11-13(2)8-9-14(17)3/h8-9,11-12H,6-7,10H2,1-5H3,(H,21,23)
InChIKeyPXVUPABFQPYPOV-UHFFFAOYSA-N
MW326.44 g/mol
LogP4.13
Rot. Bonds5

About N-(1-butyl-5,6-dimethyl-2-oxo-3-pyridinyl)-2,5-dimethylbenzamide

N-(1-butyl-5,6-dimethyl-2-oxo-3-pyridinyl)-2,5-dimethylbenzamide (PubChem CID 23587977) has the molecular formula C20H26N2O2 and a molecular weight of 326.44 g/mol. Its IUPAC name is N-(1-butyl-5,6-dimethyl-2-oxo-3-pyridinyl)-2,5-dimethylbenzamide.

Molecular Properties

Compound NameN-(1-butyl-5,6-dimethyl-2-oxo-3-pyridinyl)-2,5-dimethylbenzamide
PubChem CID23587977
Molecular FormulaC20H26N2O2
Molecular Weight326.44 g/mol
Exact Mass326.20
IUPAC NameN-(1-butyl-5,6-dimethyl-2-oxo-3-pyridinyl)-2,5-dimethylbenzamide
SMILESCCCCn1c(C)c(C)cc(NC(=O)c2cc(C)ccc2C)c1=O
InChIInChI=1S/C20H26N2O2/c1-6-7-10-22-16(5)15(4)12-18(20(22)24)21-19(23)17-11-13(2)8-9-14(17)3/h8-9,11-12H,6-7,10H2,1-5H3,(H,21,23)
InChIKeyPXVUPABFQPYPOV-UHFFFAOYSA-N
XLogP4.13
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1-butyl-5,6-dimethyl-2-oxo-3-pyridinyl)-2,5-dimethylbenzamide?
The IUPAC name of N-(1-butyl-5,6-dimethyl-2-oxo-3-pyridinyl)-2,5-dimethylbenzamide (CID 23587977) is N-(1-butyl-5,6-dimethyl-2-oxo-3-pyridinyl)-2,5-dimethylbenzamide.
What is the SMILES notation for N-(1-butyl-5,6-dimethyl-2-oxo-3-pyridinyl)-2,5-dimethylbenzamide?
The canonical SMILES for N-(1-butyl-5,6-dimethyl-2-oxo-3-pyridinyl)-2,5-dimethylbenzamide is CCCCn1c(C)c(C)cc(NC(=O)c2cc(C)ccc2C)c1=O.
What is the InChIKey of N-(1-butyl-5,6-dimethyl-2-oxo-3-pyridinyl)-2,5-dimethylbenzamide?
The InChIKey is PXVUPABFQPYPOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O2/c1-6-7-10-22-16(5)15(4)12-18(20(22)24)21-19(23)17-11-13(2)8-9-14(17)3/h8-9,11-12H,6-7,10H2,1-5H3,(H,21,23).
What are the key properties of N-(1-butyl-5,6-dimethyl-2-oxo-3-pyridinyl)-2,5-dimethylbenzamide?
N-(1-butyl-5,6-dimethyl-2-oxo-3-pyridinyl)-2,5-dimethylbenzamide has a molecular weight of 326.44 g/mol, XLogP of 4.13, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-butyl-5,6-dimethyl-2-oxo-3-pyridinyl)-2,5-dimethylbenzamide is sourced from PubChem (CID 23587977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).