N-(3,5-dimethylphenyl)-N-methyl-3-pyridin-2-ylpropanamide

C17H20N2O — CID 122159923

IUPACN-(3,5-dimethylphenyl)-N-methyl-3-pyridin-2-ylpropanamide
SMILESCc1cc(C)cc(N(C)C(=O)CCc2ccccn2)c1
InChIInChI=1S/C17H20N2O/c1-13-10-14(2)12-16(11-13)19(3)17(20)8-7-15-6-4-5-9-18-15/h4-6,9-12H,7-8H2,1-3H3
InChIKeyQANCZJNTQKAZAT-UHFFFAOYSA-N
MW268.36 g/mol
LogP3.29
Rot. Bonds4

About N-(3,5-dimethylphenyl)-N-methyl-3-pyridin-2-ylpropanamide

N-(3,5-dimethylphenyl)-N-methyl-3-pyridin-2-ylpropanamide (PubChem CID 122159923) has the molecular formula C17H20N2O and a molecular weight of 268.36 g/mol. Its IUPAC name is N-(3,5-dimethylphenyl)-N-methyl-3-pyridin-2-ylpropanamide.

Molecular Properties

Compound NameN-(3,5-dimethylphenyl)-N-methyl-3-pyridin-2-ylpropanamide
PubChem CID122159923
Molecular FormulaC17H20N2O
Molecular Weight268.36 g/mol
Exact Mass268.16
IUPAC NameN-(3,5-dimethylphenyl)-N-methyl-3-pyridin-2-ylpropanamide
SMILESCc1cc(C)cc(N(C)C(=O)CCc2ccccn2)c1
InChIInChI=1S/C17H20N2O/c1-13-10-14(2)12-16(11-13)19(3)17(20)8-7-15-6-4-5-9-18-15/h4-6,9-12H,7-8H2,1-3H3
InChIKeyQANCZJNTQKAZAT-UHFFFAOYSA-N
XLogP3.29
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-hydroxy-2-methylpropyl)-N-methyl-3-pyridin-2-ylpropanamide
CID 79602844
3-pyridin-2-yl-N-(2,4,6-trimethylphenyl)propanamide
CID 47468107
N-[1-(2-hydroxyphenyl)ethyl]-N-methyl-3-pyridin-2-ylpropanamide
CID 81449728
3-(3-aminophenyl)-N-methyl-N-(2-pyridin-2-ylethyl)propanamide
CID 43309212
N-methyl-3-pyridin-2-ylpropanamide
CID 14093010
N-(2-amino-2-methylpropyl)-3-pyridin-2-ylpropanamide
CID 81483427
ethyl 12-pyridin-2-yldodecanoate
CID 3298183
N-(1-hydroxypropan-2-yl)-N-methyl-4-pyridin-2-ylbutanamide
CID 109388299
2-[propyl(3-pyridin-2-ylpropanoyl)amino]acetic acid
CID 114289646
1,4-dipyridin-2-ylbutan-2-one
CID 105108067
3-pyridin-2-ylpropanoyl chloride;hydrochloride
CID 87464337
3-(3,5-dimethylphenyl)-1-ethyl-1-(2-pyridin-2-ylethyl)urea
CID 23767643

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethylphenyl)-N-methyl-3-pyridin-2-ylpropanamide?
The IUPAC name of N-(3,5-dimethylphenyl)-N-methyl-3-pyridin-2-ylpropanamide (CID 122159923) is N-(3,5-dimethylphenyl)-N-methyl-3-pyridin-2-ylpropanamide.
What is the SMILES notation for N-(3,5-dimethylphenyl)-N-methyl-3-pyridin-2-ylpropanamide?
The canonical SMILES for N-(3,5-dimethylphenyl)-N-methyl-3-pyridin-2-ylpropanamide is Cc1cc(C)cc(N(C)C(=O)CCc2ccccn2)c1.
What is the InChIKey of N-(3,5-dimethylphenyl)-N-methyl-3-pyridin-2-ylpropanamide?
The InChIKey is QANCZJNTQKAZAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O/c1-13-10-14(2)12-16(11-13)19(3)17(20)8-7-15-6-4-5-9-18-15/h4-6,9-12H,7-8H2,1-3H3.
What are the key properties of N-(3,5-dimethylphenyl)-N-methyl-3-pyridin-2-ylpropanamide?
N-(3,5-dimethylphenyl)-N-methyl-3-pyridin-2-ylpropanamide has a molecular weight of 268.36 g/mol, XLogP of 3.29, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethylphenyl)-N-methyl-3-pyridin-2-ylpropanamide is sourced from PubChem (CID 122159923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).