N-methyl-N-(3-methylbutyl)-3-pyridin-4-ylpropanamide

C14H22N2O — CID 78897799

IUPACN-methyl-N-(3-methylbutyl)-3-pyridin-4-ylpropanamide
SMILESCC(C)CCN(C)C(=O)CCc1ccncc1
InChIInChI=1S/C14H22N2O/c1-12(2)8-11-16(3)14(17)5-4-13-6-9-15-10-7-13/h6-7,9-10,12H,4-5,8,11H2,1-3H3
InChIKeyRYCQUFNZGNDGKG-UHFFFAOYSA-N
MW234.34 g/mol
LogP2.52
Rot. Bonds6

About N-methyl-N-(3-methylbutyl)-3-pyridin-4-ylpropanamide

N-methyl-N-(3-methylbutyl)-3-pyridin-4-ylpropanamide (PubChem CID 78897799) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is N-methyl-N-(3-methylbutyl)-3-pyridin-4-ylpropanamide.

Molecular Properties

Compound NameN-methyl-N-(3-methylbutyl)-3-pyridin-4-ylpropanamide
PubChem CID78897799
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC NameN-methyl-N-(3-methylbutyl)-3-pyridin-4-ylpropanamide
SMILESCC(C)CCN(C)C(=O)CCc1ccncc1
InChIInChI=1S/C14H22N2O/c1-12(2)8-11-16(3)14(17)5-4-13-6-9-15-10-7-13/h6-7,9-10,12H,4-5,8,11H2,1-3H3
InChIKeyRYCQUFNZGNDGKG-UHFFFAOYSA-N
XLogP2.52
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-amino-4-methylpentyl)-N-methyl-3-pyridin-4-ylpropanamide
CID 81484685
3-[acetyl(2-methylpropyl)amino]-N-methyl-N-(2-pyridin-4-ylethyl)propanamide
CID 113115956
5-amino-N,4-dimethyl-N-(2-pyridin-4-ylethyl)pentanamide
CID 82010789
N-methyl-3-[methyl(2-pyridin-4-ylethyl)amino]-N-(2-pyridin-4-ylethyl)propanamide
CID 109025999
N-methyl-2-(2-methylpropylamino)-N-(2-pyridin-4-ylethyl)acetamide
CID 108993197
methyl 2-[methyl(3-pyridin-4-ylpropanoyl)amino]acetate
CID 112729455
N-methyl-N-(3-phenoxypropyl)-3-pyridin-4-ylpropanamide
CID 60508904
N-(1-aminopropan-2-yl)-N-methyl-3-pyridin-4-ylpropanamide;dihydrochloride
CID 119582548
N',2-dimethyl-N'-(2-pyridin-4-ylethyl)butanediamide
CID 112510368
methyl (2S)-2-amino-5-[methyl(2-pyridin-4-ylethyl)amino]-5-oxopentanoate;hydrochloride
CID 168741293
N-methyl-3-[4-(methylsulfamoyl)phenyl]-N-(2-pyridin-4-ylethyl)propanamide
CID 90649211
2-chloro-N-methyl-N-(2-pyridin-4-ylethyl)acetamide
CID 60913202

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(3-methylbutyl)-3-pyridin-4-ylpropanamide?
The IUPAC name of N-methyl-N-(3-methylbutyl)-3-pyridin-4-ylpropanamide (CID 78897799) is N-methyl-N-(3-methylbutyl)-3-pyridin-4-ylpropanamide.
What is the SMILES notation for N-methyl-N-(3-methylbutyl)-3-pyridin-4-ylpropanamide?
The canonical SMILES for N-methyl-N-(3-methylbutyl)-3-pyridin-4-ylpropanamide is CC(C)CCN(C)C(=O)CCc1ccncc1.
What is the InChIKey of N-methyl-N-(3-methylbutyl)-3-pyridin-4-ylpropanamide?
The InChIKey is RYCQUFNZGNDGKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-12(2)8-11-16(3)14(17)5-4-13-6-9-15-10-7-13/h6-7,9-10,12H,4-5,8,11H2,1-3H3.
What are the key properties of N-methyl-N-(3-methylbutyl)-3-pyridin-4-ylpropanamide?
N-methyl-N-(3-methylbutyl)-3-pyridin-4-ylpropanamide has a molecular weight of 234.34 g/mol, XLogP of 2.52, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(3-methylbutyl)-3-pyridin-4-ylpropanamide is sourced from PubChem (CID 78897799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).