N,N-diethyl-2-hydroxy-4,4-dimethyl-2-pyridin-3-ylpentanamide

C16H26N2O2 — CID 11076778

IUPACN,N-diethyl-2-hydroxy-4,4-dimethyl-2-pyridin-3-ylpentanamide
SMILESCCN(CC)C(=O)C(O)(CC(C)(C)C)c1cccnc1
InChIInChI=1S/C16H26N2O2/c1-6-18(7-2)14(19)16(20,12-15(3,4)5)13-9-8-10-17-11-13/h8-11,20H,6-7,12H2,1-5H3
InChIKeyWDLCPUVUBLYZFS-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.57
Rot. Bonds5

About N,N-diethyl-2-hydroxy-4,4-dimethyl-2-pyridin-3-ylpentanamide

N,N-diethyl-2-hydroxy-4,4-dimethyl-2-pyridin-3-ylpentanamide (PubChem CID 11076778) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is N,N-diethyl-2-hydroxy-4,4-dimethyl-2-pyridin-3-ylpentanamide.

Molecular Properties

Compound NameN,N-diethyl-2-hydroxy-4,4-dimethyl-2-pyridin-3-ylpentanamide
PubChem CID11076778
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC NameN,N-diethyl-2-hydroxy-4,4-dimethyl-2-pyridin-3-ylpentanamide
SMILESCCN(CC)C(=O)C(O)(CC(C)(C)C)c1cccnc1
InChIInChI=1S/C16H26N2O2/c1-6-18(7-2)14(19)16(20,12-15(3,4)5)13-9-8-10-17-11-13/h8-11,20H,6-7,12H2,1-5H3
InChIKeyWDLCPUVUBLYZFS-UHFFFAOYSA-N
XLogP2.57
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,4-dimethyl-4-pyridin-3-ylpentan-2-ol
CID 145044151
(3R)-3-hydroxy-3-pyridin-3-ylbutan-2-one
CID 7200717
3-hydroxy-3-pyridin-3-ylbutan-2-one
CID 4912937
(2S)-1-imidazol-1-yl-4,4-dimethyl-2-pyridin-3-ylpentan-2-ol
CID 27876388
2-butylsulfanyl-2-pyridin-3-ylpropanoic acid
CID 114994633
2-propylsulfanyl-2-pyridin-3-ylpropanoic acid
CID 114987629
diethyl 2-methyl-2-pyridin-3-ylpropanedioate
CID 57301531
3-hydroxy-3-methyl-2-phenyl-2-pyridin-3-ylpentanoic acid
CID 68961783
1-fluoro-2-pyridin-3-ylpropan-2-ol
CID 89407695
ethyl 2-hydroxy-3-nitro-2-pyridin-3-ylpropanoate
CID 167441467
tripyridin-3-ylmethanol
CID 177395677
2-methyl-2-pyridin-3-ylpropane-1,3-diol
CID 130130273

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-hydroxy-4,4-dimethyl-2-pyridin-3-ylpentanamide?
The IUPAC name of N,N-diethyl-2-hydroxy-4,4-dimethyl-2-pyridin-3-ylpentanamide (CID 11076778) is N,N-diethyl-2-hydroxy-4,4-dimethyl-2-pyridin-3-ylpentanamide.
What is the SMILES notation for N,N-diethyl-2-hydroxy-4,4-dimethyl-2-pyridin-3-ylpentanamide?
The canonical SMILES for N,N-diethyl-2-hydroxy-4,4-dimethyl-2-pyridin-3-ylpentanamide is CCN(CC)C(=O)C(O)(CC(C)(C)C)c1cccnc1.
What is the InChIKey of N,N-diethyl-2-hydroxy-4,4-dimethyl-2-pyridin-3-ylpentanamide?
The InChIKey is WDLCPUVUBLYZFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-6-18(7-2)14(19)16(20,12-15(3,4)5)13-9-8-10-17-11-13/h8-11,20H,6-7,12H2,1-5H3.
What are the key properties of N,N-diethyl-2-hydroxy-4,4-dimethyl-2-pyridin-3-ylpentanamide?
N,N-diethyl-2-hydroxy-4,4-dimethyl-2-pyridin-3-ylpentanamide has a molecular weight of 278.40 g/mol, XLogP of 2.57, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-hydroxy-4,4-dimethyl-2-pyridin-3-ylpentanamide is sourced from PubChem (CID 11076778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).