2-[2-(diethylamino)ethyl]-4-methyl-2-pyridin-2-ylpentanamide

C17H29N3O — CID 12923166

IUPAC2-[2-(diethylamino)ethyl]-4-methyl-2-pyridin-2-ylpentanamide
SMILESCCN(CC)CCC(CC(C)C)(C(N)=O)c1ccccn1
InChIInChI=1S/C17H29N3O/c1-5-20(6-2)12-10-17(16(18)21,13-14(3)4)15-9-7-8-11-19-15/h7-9,11,14H,5-6,10,12-13H2,1-4H3,(H2,18,21)
InChIKeySJVQIKNCKWJQLG-UHFFFAOYSA-N
MW291.44 g/mol
LogP2.58
Rot. Bonds9

About 2-[2-(diethylamino)ethyl]-4-methyl-2-pyridin-2-ylpentanamide

2-[2-(diethylamino)ethyl]-4-methyl-2-pyridin-2-ylpentanamide (PubChem CID 12923166) has the molecular formula C17H29N3O and a molecular weight of 291.44 g/mol. Its IUPAC name is 2-[2-(diethylamino)ethyl]-4-methyl-2-pyridin-2-ylpentanamide.

Molecular Properties

Compound Name2-[2-(diethylamino)ethyl]-4-methyl-2-pyridin-2-ylpentanamide
PubChem CID12923166
Molecular FormulaC17H29N3O
Molecular Weight291.44 g/mol
Exact Mass291.23
IUPAC Name2-[2-(diethylamino)ethyl]-4-methyl-2-pyridin-2-ylpentanamide
SMILESCCN(CC)CCC(CC(C)C)(C(N)=O)c1ccccn1
InChIInChI=1S/C17H29N3O/c1-5-20(6-2)12-10-17(16(18)21,13-14(3)4)15-9-7-8-11-19-15/h7-9,11,14H,5-6,10,12-13H2,1-4H3,(H2,18,21)
InChIKeySJVQIKNCKWJQLG-UHFFFAOYSA-N
XLogP2.58
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(diethylamino)ethyl]-4-methyl-2-pyridin-2-ylpentanamide?
The IUPAC name of 2-[2-(diethylamino)ethyl]-4-methyl-2-pyridin-2-ylpentanamide (CID 12923166) is 2-[2-(diethylamino)ethyl]-4-methyl-2-pyridin-2-ylpentanamide.
What is the SMILES notation for 2-[2-(diethylamino)ethyl]-4-methyl-2-pyridin-2-ylpentanamide?
The canonical SMILES for 2-[2-(diethylamino)ethyl]-4-methyl-2-pyridin-2-ylpentanamide is CCN(CC)CCC(CC(C)C)(C(N)=O)c1ccccn1.
What is the InChIKey of 2-[2-(diethylamino)ethyl]-4-methyl-2-pyridin-2-ylpentanamide?
The InChIKey is SJVQIKNCKWJQLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O/c1-5-20(6-2)12-10-17(16(18)21,13-14(3)4)15-9-7-8-11-19-15/h7-9,11,14H,5-6,10,12-13H2,1-4H3,(H2,18,21).
What are the key properties of 2-[2-(diethylamino)ethyl]-4-methyl-2-pyridin-2-ylpentanamide?
2-[2-(diethylamino)ethyl]-4-methyl-2-pyridin-2-ylpentanamide has a molecular weight of 291.44 g/mol, XLogP of 2.58, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(diethylamino)ethyl]-4-methyl-2-pyridin-2-ylpentanamide is sourced from PubChem (CID 12923166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).