2-[2-[di(propan-2-yl)amino]ethyl]-5-methyl-2-pyridin-2-ylhexanamide

C20H35N3O — CID 12923164

IUPAC2-[2-[di(propan-2-yl)amino]ethyl]-5-methyl-2-pyridin-2-ylhexanamide
SMILESCC(C)CCC(CCN(C(C)C)C(C)C)(C(N)=O)c1ccccn1
InChIInChI=1S/C20H35N3O/c1-15(2)10-11-20(19(21)24,18-9-7-8-13-22-18)12-14-23(16(3)4)17(5)6/h7-9,13,15-17H,10-12,14H2,1-6H3,(H2,21,24)
InChIKeyFUIWPZRNLDWDRB-UHFFFAOYSA-N
MW333.52 g/mol
LogP3.75
Rot. Bonds10

About 2-[2-[di(propan-2-yl)amino]ethyl]-5-methyl-2-pyridin-2-ylhexanamide

2-[2-[di(propan-2-yl)amino]ethyl]-5-methyl-2-pyridin-2-ylhexanamide (PubChem CID 12923164) has the molecular formula C20H35N3O and a molecular weight of 333.52 g/mol. Its IUPAC name is 2-[2-[di(propan-2-yl)amino]ethyl]-5-methyl-2-pyridin-2-ylhexanamide.

Molecular Properties

Compound Name2-[2-[di(propan-2-yl)amino]ethyl]-5-methyl-2-pyridin-2-ylhexanamide
PubChem CID12923164
Molecular FormulaC20H35N3O
Molecular Weight333.52 g/mol
Exact Mass333.28
IUPAC Name2-[2-[di(propan-2-yl)amino]ethyl]-5-methyl-2-pyridin-2-ylhexanamide
SMILESCC(C)CCC(CCN(C(C)C)C(C)C)(C(N)=O)c1ccccn1
InChIInChI=1S/C20H35N3O/c1-15(2)10-11-20(19(21)24,18-9-7-8-13-22-18)12-14-23(16(3)4)17(5)6/h7-9,13,15-17H,10-12,14H2,1-6H3,(H2,21,24)
InChIKeyFUIWPZRNLDWDRB-UHFFFAOYSA-N
XLogP3.75
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.52
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[di(propan-2-yl)amino]ethyl]-5-methyl-2-pyridin-2-ylhexanamide?
The IUPAC name of 2-[2-[di(propan-2-yl)amino]ethyl]-5-methyl-2-pyridin-2-ylhexanamide (CID 12923164) is 2-[2-[di(propan-2-yl)amino]ethyl]-5-methyl-2-pyridin-2-ylhexanamide.
What is the SMILES notation for 2-[2-[di(propan-2-yl)amino]ethyl]-5-methyl-2-pyridin-2-ylhexanamide?
The canonical SMILES for 2-[2-[di(propan-2-yl)amino]ethyl]-5-methyl-2-pyridin-2-ylhexanamide is CC(C)CCC(CCN(C(C)C)C(C)C)(C(N)=O)c1ccccn1.
What is the InChIKey of 2-[2-[di(propan-2-yl)amino]ethyl]-5-methyl-2-pyridin-2-ylhexanamide?
The InChIKey is FUIWPZRNLDWDRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H35N3O/c1-15(2)10-11-20(19(21)24,18-9-7-8-13-22-18)12-14-23(16(3)4)17(5)6/h7-9,13,15-17H,10-12,14H2,1-6H3,(H2,21,24).
What are the key properties of 2-[2-[di(propan-2-yl)amino]ethyl]-5-methyl-2-pyridin-2-ylhexanamide?
2-[2-[di(propan-2-yl)amino]ethyl]-5-methyl-2-pyridin-2-ylhexanamide has a molecular weight of 333.52 g/mol, XLogP of 3.75, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[di(propan-2-yl)amino]ethyl]-5-methyl-2-pyridin-2-ylhexanamide is sourced from PubChem (CID 12923164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).