5-cyclopropyl-6-(cyclopropylmethoxy)-N-(3-ethyl-4-oxohexan-3-yl)pyridine-2-carboxamide

C21H30N2O3 — CID 148777129

IUPAC5-cyclopropyl-6-(cyclopropylmethoxy)-N-(3-ethyl-4-oxohexan-3-yl)pyridine-2-carboxamide
SMILESCCC(=O)C(CC)(CC)NC(=O)c1ccc(C2CC2)c(OCC2CC2)n1
InChIInChI=1S/C21H30N2O3/c1-4-18(24)21(5-2,6-3)23-19(25)17-12-11-16(15-9-10-15)20(22-17)26-13-14-7-8-14/h11-12,14-15H,4-10,13H2,1-3H3,(H,23,25)
InChIKeyOJOXEDFZPQMHQI-UHFFFAOYSA-N
MW358.48 g/mol
LogP4.02
Rot. Bonds10

About 5-cyclopropyl-6-(cyclopropylmethoxy)-N-(3-ethyl-4-oxohexan-3-yl)pyridine-2-carboxamide

5-cyclopropyl-6-(cyclopropylmethoxy)-N-(3-ethyl-4-oxohexan-3-yl)pyridine-2-carboxamide (PubChem CID 148777129) has the molecular formula C21H30N2O3 and a molecular weight of 358.48 g/mol. Its IUPAC name is 5-cyclopropyl-6-(cyclopropylmethoxy)-N-(3-ethyl-4-oxohexan-3-yl)pyridine-2-carboxamide.

Molecular Properties

Compound Name5-cyclopropyl-6-(cyclopropylmethoxy)-N-(3-ethyl-4-oxohexan-3-yl)pyridine-2-carboxamide
PubChem CID148777129
Molecular FormulaC21H30N2O3
Molecular Weight358.48 g/mol
Exact Mass358.23
IUPAC Name5-cyclopropyl-6-(cyclopropylmethoxy)-N-(3-ethyl-4-oxohexan-3-yl)pyridine-2-carboxamide
SMILESCCC(=O)C(CC)(CC)NC(=O)c1ccc(C2CC2)c(OCC2CC2)n1
InChIInChI=1S/C21H30N2O3/c1-4-18(24)21(5-2,6-3)23-19(25)17-12-11-16(15-9-10-15)20(22-17)26-13-14-7-8-14/h11-12,14-15H,4-10,13H2,1-3H3,(H,23,25)
InChIKeyOJOXEDFZPQMHQI-UHFFFAOYSA-N
XLogP4.02
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.48
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-6-(cyclopropylmethoxy)-N-(3-ethyl-4-oxohexan-3-yl)pyridine-2-carboxamide?
The IUPAC name of 5-cyclopropyl-6-(cyclopropylmethoxy)-N-(3-ethyl-4-oxohexan-3-yl)pyridine-2-carboxamide (CID 148777129) is 5-cyclopropyl-6-(cyclopropylmethoxy)-N-(3-ethyl-4-oxohexan-3-yl)pyridine-2-carboxamide.
What is the SMILES notation for 5-cyclopropyl-6-(cyclopropylmethoxy)-N-(3-ethyl-4-oxohexan-3-yl)pyridine-2-carboxamide?
The canonical SMILES for 5-cyclopropyl-6-(cyclopropylmethoxy)-N-(3-ethyl-4-oxohexan-3-yl)pyridine-2-carboxamide is CCC(=O)C(CC)(CC)NC(=O)c1ccc(C2CC2)c(OCC2CC2)n1.
What is the InChIKey of 5-cyclopropyl-6-(cyclopropylmethoxy)-N-(3-ethyl-4-oxohexan-3-yl)pyridine-2-carboxamide?
The InChIKey is OJOXEDFZPQMHQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N2O3/c1-4-18(24)21(5-2,6-3)23-19(25)17-12-11-16(15-9-10-15)20(22-17)26-13-14-7-8-14/h11-12,14-15H,4-10,13H2,1-3H3,(H,23,25).
What are the key properties of 5-cyclopropyl-6-(cyclopropylmethoxy)-N-(3-ethyl-4-oxohexan-3-yl)pyridine-2-carboxamide?
5-cyclopropyl-6-(cyclopropylmethoxy)-N-(3-ethyl-4-oxohexan-3-yl)pyridine-2-carboxamide has a molecular weight of 358.48 g/mol, XLogP of 4.02, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-6-(cyclopropylmethoxy)-N-(3-ethyl-4-oxohexan-3-yl)pyridine-2-carboxamide is sourced from PubChem (CID 148777129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).