2,4-diethyl-N,2,4-trimethyl-N'-(6-methyl-3-pyridinyl)pentanediamide

C18H29N3O2 — CID 122647066

IUPAC2,4-diethyl-N,2,4-trimethyl-N'-(6-methyl-3-pyridinyl)pentanediamide
SMILESCCC(C)(CC(C)(CC)C(=O)Nc1ccc(C)nc1)C(=O)NC
InChIInChI=1S/C18H29N3O2/c1-7-17(4,15(22)19-6)12-18(5,8-2)16(23)21-14-10-9-13(3)20-11-14/h9-11H,7-8,12H2,1-6H3,(H,19,22)(H,21,23)
InChIKeyUAJHBKNDSMKNJE-UHFFFAOYSA-N
MW319.45 g/mol
LogP3.30
Rot. Bonds7

About 2,4-diethyl-N,2,4-trimethyl-N'-(6-methyl-3-pyridinyl)pentanediamide

2,4-diethyl-N,2,4-trimethyl-N'-(6-methyl-3-pyridinyl)pentanediamide (PubChem CID 122647066) has the molecular formula C18H29N3O2 and a molecular weight of 319.45 g/mol. Its IUPAC name is 2,4-diethyl-N,2,4-trimethyl-N'-(6-methyl-3-pyridinyl)pentanediamide.

Molecular Properties

Compound Name2,4-diethyl-N,2,4-trimethyl-N'-(6-methyl-3-pyridinyl)pentanediamide
PubChem CID122647066
Molecular FormulaC18H29N3O2
Molecular Weight319.45 g/mol
Exact Mass319.23
IUPAC Name2,4-diethyl-N,2,4-trimethyl-N'-(6-methyl-3-pyridinyl)pentanediamide
SMILESCCC(C)(CC(C)(CC)C(=O)Nc1ccc(C)nc1)C(=O)NC
InChIInChI=1S/C18H29N3O2/c1-7-17(4,15(22)19-6)12-18(5,8-2)16(23)21-14-10-9-13(3)20-11-14/h9-11H,7-8,12H2,1-6H3,(H,19,22)(H,21,23)
InChIKeyUAJHBKNDSMKNJE-UHFFFAOYSA-N
XLogP3.30
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.45
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,4-diethyl-N,2,4-trimethyl-N'-(6-methyl-3-pyridinyl)pentanediamide?
The IUPAC name of 2,4-diethyl-N,2,4-trimethyl-N'-(6-methyl-3-pyridinyl)pentanediamide (CID 122647066) is 2,4-diethyl-N,2,4-trimethyl-N'-(6-methyl-3-pyridinyl)pentanediamide.
What is the SMILES notation for 2,4-diethyl-N,2,4-trimethyl-N'-(6-methyl-3-pyridinyl)pentanediamide?
The canonical SMILES for 2,4-diethyl-N,2,4-trimethyl-N'-(6-methyl-3-pyridinyl)pentanediamide is CCC(C)(CC(C)(CC)C(=O)Nc1ccc(C)nc1)C(=O)NC.
What is the InChIKey of 2,4-diethyl-N,2,4-trimethyl-N'-(6-methyl-3-pyridinyl)pentanediamide?
The InChIKey is UAJHBKNDSMKNJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O2/c1-7-17(4,15(22)19-6)12-18(5,8-2)16(23)21-14-10-9-13(3)20-11-14/h9-11H,7-8,12H2,1-6H3,(H,19,22)(H,21,23).
What are the key properties of 2,4-diethyl-N,2,4-trimethyl-N'-(6-methyl-3-pyridinyl)pentanediamide?
2,4-diethyl-N,2,4-trimethyl-N'-(6-methyl-3-pyridinyl)pentanediamide has a molecular weight of 319.45 g/mol, XLogP of 3.30, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-diethyl-N,2,4-trimethyl-N'-(6-methyl-3-pyridinyl)pentanediamide is sourced from PubChem (CID 122647066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).