N,N-diethyl-3-pyridin-3-ylbutanamide

C13H20N2O — CID 110649111

IUPACN,N-diethyl-3-pyridin-3-ylbutanamide
SMILESCCN(CC)C(=O)CC(C)c1cccnc1
InChIInChI=1S/C13H20N2O/c1-4-15(5-2)13(16)9-11(3)12-7-6-8-14-10-12/h6-8,10-11H,4-5,9H2,1-3H3
InChIKeyNPKLOKSORDWEAP-UHFFFAOYSA-N
MW220.32 g/mol
LogP2.44
Rot. Bonds5

About N,N-diethyl-3-pyridin-3-ylbutanamide

N,N-diethyl-3-pyridin-3-ylbutanamide (PubChem CID 110649111) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is N,N-diethyl-3-pyridin-3-ylbutanamide.

Molecular Properties

Compound NameN,N-diethyl-3-pyridin-3-ylbutanamide
PubChem CID110649111
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC NameN,N-diethyl-3-pyridin-3-ylbutanamide
SMILESCCN(CC)C(=O)CC(C)c1cccnc1
InChIInChI=1S/C13H20N2O/c1-4-15(5-2)13(16)9-11(3)12-7-6-8-14-10-12/h6-8,10-11H,4-5,9H2,1-3H3
InChIKeyNPKLOKSORDWEAP-UHFFFAOYSA-N
XLogP2.44
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-benzyl-N-ethyl-3-pyridin-3-ylbutanamide
CID 110648244
ethyl 3-pyridin-3-ylbutanoate
CID 12727116
N-[4-(diethylamino)phenyl]-3-pyridin-3-ylbutanamide
CID 110650746
N-(2-methylpropyl)-3-pyridin-3-ylbutanamide
CID 110647374
(3S)-4-methyl-3-pyridin-3-ylpentanoic acid
CID 95426489
2-(diethylamino)-2-pyridin-3-ylacetic acid
CID 43803724
3-pyridin-3-ylbutan-1-ol
CID 23506282
1-piperazin-1-yl-3-pyridin-3-ylbutan-1-one
CID 82510316
1-(1-adamantyl)-3-pyridin-3-ylbutan-1-one
CID 23355090
3-pyridin-3-ylbutanal
CID 12727117
N-[(4-methylphenyl)methyl]-3-pyridin-3-ylbutanamide
CID 110647997
ethyl 3-pyridin-3-ylpentanoate
CID 171747994

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-3-pyridin-3-ylbutanamide?
The IUPAC name of N,N-diethyl-3-pyridin-3-ylbutanamide (CID 110649111) is N,N-diethyl-3-pyridin-3-ylbutanamide.
What is the SMILES notation for N,N-diethyl-3-pyridin-3-ylbutanamide?
The canonical SMILES for N,N-diethyl-3-pyridin-3-ylbutanamide is CCN(CC)C(=O)CC(C)c1cccnc1.
What is the InChIKey of N,N-diethyl-3-pyridin-3-ylbutanamide?
The InChIKey is NPKLOKSORDWEAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c1-4-15(5-2)13(16)9-11(3)12-7-6-8-14-10-12/h6-8,10-11H,4-5,9H2,1-3H3.
What are the key properties of N,N-diethyl-3-pyridin-3-ylbutanamide?
N,N-diethyl-3-pyridin-3-ylbutanamide has a molecular weight of 220.32 g/mol, XLogP of 2.44, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-3-pyridin-3-ylbutanamide is sourced from PubChem (CID 110649111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).