N-[3-(dimethylamino)propyl]-4-pyridin-3-ylbutanamide

C14H23N3O — CID 110408294

IUPACN-[3-(dimethylamino)propyl]-4-pyridin-3-ylbutanamide
SMILESCN(C)CCCNC(=O)CCCc1cccnc1
InChIInChI=1S/C14H23N3O/c1-17(2)11-5-10-16-14(18)8-3-6-13-7-4-9-15-12-13/h4,7,9,12H,3,5-6,8,10-11H2,1-2H3,(H,16,18)
InChIKeyRQMYDJMWOVCJSX-UHFFFAOYSA-N
MW249.36 g/mol
LogP1.47
Rot. Bonds8

About N-[3-(dimethylamino)propyl]-4-pyridin-3-ylbutanamide

N-[3-(dimethylamino)propyl]-4-pyridin-3-ylbutanamide (PubChem CID 110408294) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is N-[3-(dimethylamino)propyl]-4-pyridin-3-ylbutanamide.

Molecular Properties

Compound NameN-[3-(dimethylamino)propyl]-4-pyridin-3-ylbutanamide
PubChem CID110408294
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC NameN-[3-(dimethylamino)propyl]-4-pyridin-3-ylbutanamide
SMILESCN(C)CCCNC(=O)CCCc1cccnc1
InChIInChI=1S/C14H23N3O/c1-17(2)11-5-10-16-14(18)8-3-6-13-7-4-9-15-12-13/h4,7,9,12H,3,5-6,8,10-11H2,1-2H3,(H,16,18)
InChIKeyRQMYDJMWOVCJSX-UHFFFAOYSA-N
XLogP1.47
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(2-phenylethyl)-4-pyridin-3-ylbutanamide
CID 110410890
N-(4-methoxybutyl)-4-pyridin-3-ylbutanamide
CID 110610244
N-[2-[2-(diethylamino)ethoxy]ethyl]-4-pyridin-3-ylbutanamide
CID 110612739
N-[2-(2-hydroxyphenyl)ethyl]-4-pyridin-3-ylbutanamide
CID 110614904
3-[acetyl(pyridin-3-ylmethyl)amino]-N-[2-(dimethylamino)ethyl]propanamide
CID 113120356
1-[4-[3-(dimethylamino)propanoyl]piperazin-1-yl]-4-pyridin-3-ylbutan-1-one
CID 110611606
3-(3,4-dimethylphenyl)-N-(3-pyridin-3-ylpropyl)propanamide
CID 91761122
N-[2-(3-chlorophenyl)ethyl]-4-pyridin-3-ylbutanamide
CID 110416616
3-methyl-N-(4-pyridin-3-ylbutyl)butanamide
CID 110661269
N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-4-pyridin-3-ylbutanamide
CID 110623832
N-[2-(1,3-benzodioxol-5-yl)ethyl]-4-pyridin-3-ylbutanamide
CID 110606610
7-amino-N-(2-pyridin-3-ylethyl)heptanamide;dihydrochloride
CID 119842426

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)propyl]-4-pyridin-3-ylbutanamide?
The IUPAC name of N-[3-(dimethylamino)propyl]-4-pyridin-3-ylbutanamide (CID 110408294) is N-[3-(dimethylamino)propyl]-4-pyridin-3-ylbutanamide.
What is the SMILES notation for N-[3-(dimethylamino)propyl]-4-pyridin-3-ylbutanamide?
The canonical SMILES for N-[3-(dimethylamino)propyl]-4-pyridin-3-ylbutanamide is CN(C)CCCNC(=O)CCCc1cccnc1.
What is the InChIKey of N-[3-(dimethylamino)propyl]-4-pyridin-3-ylbutanamide?
The InChIKey is RQMYDJMWOVCJSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-17(2)11-5-10-16-14(18)8-3-6-13-7-4-9-15-12-13/h4,7,9,12H,3,5-6,8,10-11H2,1-2H3,(H,16,18).
What are the key properties of N-[3-(dimethylamino)propyl]-4-pyridin-3-ylbutanamide?
N-[3-(dimethylamino)propyl]-4-pyridin-3-ylbutanamide has a molecular weight of 249.36 g/mol, XLogP of 1.47, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)propyl]-4-pyridin-3-ylbutanamide is sourced from PubChem (CID 110408294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).