1-butyl-N-cyclohexyl-5-ethyl-2-oxo-6-propylpyridine-3-carboxamide

C21H34N2O2 — CID 70974341

IUPAC1-butyl-N-cyclohexyl-5-ethyl-2-oxo-6-propylpyridine-3-carboxamide
SMILESCCCCn1c(CCC)c(CC)cc(C(=O)NC2CCCCC2)c1=O
InChIInChI=1S/C21H34N2O2/c1-4-7-14-23-19(11-5-2)16(6-3)15-18(21(23)25)20(24)22-17-12-9-8-10-13-17/h15,17H,4-14H2,1-3H3,(H,22,24)
InChIKeyBDBIDWJVIUQWBQ-UHFFFAOYSA-N
MW346.52 g/mol
LogP4.23
Rot. Bonds8

About 1-butyl-N-cyclohexyl-5-ethyl-2-oxo-6-propylpyridine-3-carboxamide

1-butyl-N-cyclohexyl-5-ethyl-2-oxo-6-propylpyridine-3-carboxamide (PubChem CID 70974341) has the molecular formula C21H34N2O2 and a molecular weight of 346.52 g/mol. Its IUPAC name is 1-butyl-N-cyclohexyl-5-ethyl-2-oxo-6-propylpyridine-3-carboxamide.

Molecular Properties

Compound Name1-butyl-N-cyclohexyl-5-ethyl-2-oxo-6-propylpyridine-3-carboxamide
PubChem CID70974341
Molecular FormulaC21H34N2O2
Molecular Weight346.52 g/mol
Exact Mass346.26
IUPAC Name1-butyl-N-cyclohexyl-5-ethyl-2-oxo-6-propylpyridine-3-carboxamide
SMILESCCCCn1c(CCC)c(CC)cc(C(=O)NC2CCCCC2)c1=O
InChIInChI=1S/C21H34N2O2/c1-4-7-14-23-19(11-5-2)16(6-3)15-18(21(23)25)20(24)22-17-12-9-8-10-13-17/h15,17H,4-14H2,1-3H3,(H,22,24)
InChIKeyBDBIDWJVIUQWBQ-UHFFFAOYSA-N
XLogP4.23
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.52
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-butyl-N-cyclohexyl-5-ethyl-2-oxo-6-propylpyridine-3-carboxamide?
The IUPAC name of 1-butyl-N-cyclohexyl-5-ethyl-2-oxo-6-propylpyridine-3-carboxamide (CID 70974341) is 1-butyl-N-cyclohexyl-5-ethyl-2-oxo-6-propylpyridine-3-carboxamide.
What is the SMILES notation for 1-butyl-N-cyclohexyl-5-ethyl-2-oxo-6-propylpyridine-3-carboxamide?
The canonical SMILES for 1-butyl-N-cyclohexyl-5-ethyl-2-oxo-6-propylpyridine-3-carboxamide is CCCCn1c(CCC)c(CC)cc(C(=O)NC2CCCCC2)c1=O.
What is the InChIKey of 1-butyl-N-cyclohexyl-5-ethyl-2-oxo-6-propylpyridine-3-carboxamide?
The InChIKey is BDBIDWJVIUQWBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H34N2O2/c1-4-7-14-23-19(11-5-2)16(6-3)15-18(21(23)25)20(24)22-17-12-9-8-10-13-17/h15,17H,4-14H2,1-3H3,(H,22,24).
What are the key properties of 1-butyl-N-cyclohexyl-5-ethyl-2-oxo-6-propylpyridine-3-carboxamide?
1-butyl-N-cyclohexyl-5-ethyl-2-oxo-6-propylpyridine-3-carboxamide has a molecular weight of 346.52 g/mol, XLogP of 4.23, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-N-cyclohexyl-5-ethyl-2-oxo-6-propylpyridine-3-carboxamide is sourced from PubChem (CID 70974341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).