3-cyano-N,4-dimethyl-N-(2-pyridin-4-ylethyl)pentanamide

C15H21N3O — CID 112516763

IUPAC3-cyano-N,4-dimethyl-N-(2-pyridin-4-ylethyl)pentanamide
SMILESCC(C)C(C#N)CC(=O)N(C)CCc1ccncc1
InChIInChI=1S/C15H21N3O/c1-12(2)14(11-16)10-15(19)18(3)9-6-13-4-7-17-8-5-13/h4-5,7-8,12,14H,6,9-10H2,1-3H3
InChIKeyBGAABEDEXMMBFB-UHFFFAOYSA-N
MW259.35 g/mol
LogP2.27
Rot. Bonds6

About 3-cyano-N,4-dimethyl-N-(2-pyridin-4-ylethyl)pentanamide

3-cyano-N,4-dimethyl-N-(2-pyridin-4-ylethyl)pentanamide (PubChem CID 112516763) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is 3-cyano-N,4-dimethyl-N-(2-pyridin-4-ylethyl)pentanamide.

Molecular Properties

Compound Name3-cyano-N,4-dimethyl-N-(2-pyridin-4-ylethyl)pentanamide
PubChem CID112516763
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC Name3-cyano-N,4-dimethyl-N-(2-pyridin-4-ylethyl)pentanamide
SMILESCC(C)C(C#N)CC(=O)N(C)CCc1ccncc1
InChIInChI=1S/C15H21N3O/c1-12(2)14(11-16)10-15(19)18(3)9-6-13-4-7-17-8-5-13/h4-5,7-8,12,14H,6,9-10H2,1-3H3
InChIKeyBGAABEDEXMMBFB-UHFFFAOYSA-N
XLogP2.27
TPSA56.99 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N',2-dimethyl-N'-(2-pyridin-4-ylethyl)butanediamide
CID 112510368
3-methyl-5-[methyl(2-pyridin-4-ylethyl)amino]-5-oxopentanoic acid
CID 62966262
2-chloro-N-methyl-N-(2-pyridin-4-ylethyl)acetamide
CID 60913202
N-methyl-2-(2-methylpropylamino)-N-(2-pyridin-4-ylethyl)acetamide
CID 108993197
N-methyl-3-[methyl(2-pyridin-4-ylethyl)amino]-N-(2-pyridin-4-ylethyl)propanamide
CID 109025999
N-methyl-2-(methylamino)-N-(2-pyridin-4-ylethyl)acetamide
CID 60913880
5-amino-N,4-dimethyl-N-(2-pyridin-4-ylethyl)pentanamide
CID 82010789
N-methyl-2-[methylsulfonyl(propan-2-yl)amino]-N-(2-pyridin-4-ylethyl)acetamide
CID 113147692
N-methyl-N-(3-methylbutyl)-3-pyridin-4-ylpropanamide
CID 78897799
N,2-dimethyl-3-(methylamino)-N-(2-pyridin-4-ylethyl)propanamide;dihydrochloride
CID 119958504
3-[acetyl(2-methylpropyl)amino]-N-methyl-N-(2-pyridin-4-ylethyl)propanamide
CID 113115956
2-(4-chlorophenyl)-N-methyl-N-(2-pyridin-4-ylethyl)acetamide
CID 110755605

Frequently Asked Questions

What is the IUPAC name of 3-cyano-N,4-dimethyl-N-(2-pyridin-4-ylethyl)pentanamide?
The IUPAC name of 3-cyano-N,4-dimethyl-N-(2-pyridin-4-ylethyl)pentanamide (CID 112516763) is 3-cyano-N,4-dimethyl-N-(2-pyridin-4-ylethyl)pentanamide.
What is the SMILES notation for 3-cyano-N,4-dimethyl-N-(2-pyridin-4-ylethyl)pentanamide?
The canonical SMILES for 3-cyano-N,4-dimethyl-N-(2-pyridin-4-ylethyl)pentanamide is CC(C)C(C#N)CC(=O)N(C)CCc1ccncc1.
What is the InChIKey of 3-cyano-N,4-dimethyl-N-(2-pyridin-4-ylethyl)pentanamide?
The InChIKey is BGAABEDEXMMBFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-12(2)14(11-16)10-15(19)18(3)9-6-13-4-7-17-8-5-13/h4-5,7-8,12,14H,6,9-10H2,1-3H3.
What are the key properties of 3-cyano-N,4-dimethyl-N-(2-pyridin-4-ylethyl)pentanamide?
3-cyano-N,4-dimethyl-N-(2-pyridin-4-ylethyl)pentanamide has a molecular weight of 259.35 g/mol, XLogP of 2.27, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-N,4-dimethyl-N-(2-pyridin-4-ylethyl)pentanamide is sourced from PubChem (CID 112516763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).