N-[2-(2-methylphenyl)-3-pyridin-3-ylpropyl]propanamide

C18H22N2O — CID 110361067

IUPACN-[2-(2-methylphenyl)-3-pyridin-3-ylpropyl]propanamide
SMILESCCC(=O)NCC(Cc1cccnc1)c1ccccc1C
InChIInChI=1S/C18H22N2O/c1-3-18(21)20-13-16(11-15-8-6-10-19-12-15)17-9-5-4-7-14(17)2/h4-10,12,16H,3,11,13H2,1-2H3,(H,20,21)
InChIKeyFRBHBGVUROKJJF-UHFFFAOYSA-N
MW282.39 g/mol
LogP3.24
Rot. Bonds6

About N-[2-(2-methylphenyl)-3-pyridin-3-ylpropyl]propanamide

N-[2-(2-methylphenyl)-3-pyridin-3-ylpropyl]propanamide (PubChem CID 110361067) has the molecular formula C18H22N2O and a molecular weight of 282.39 g/mol. Its IUPAC name is N-[2-(2-methylphenyl)-3-pyridin-3-ylpropyl]propanamide.

Molecular Properties

Compound NameN-[2-(2-methylphenyl)-3-pyridin-3-ylpropyl]propanamide
PubChem CID110361067
Molecular FormulaC18H22N2O
Molecular Weight282.39 g/mol
Exact Mass282.17
IUPAC NameN-[2-(2-methylphenyl)-3-pyridin-3-ylpropyl]propanamide
SMILESCCC(=O)NCC(Cc1cccnc1)c1ccccc1C
InChIInChI=1S/C18H22N2O/c1-3-18(21)20-13-16(11-15-8-6-10-19-12-15)17-9-5-4-7-14(17)2/h4-10,12,16H,3,11,13H2,1-2H3,(H,20,21)
InChIKeyFRBHBGVUROKJJF-UHFFFAOYSA-N
XLogP3.24
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1,1-diethyl-3-[2-(2-methylphenyl)-3-pyridin-3-ylpropyl]urea
CID 110361075
N-[2-(4-methylphenyl)-3-pyridin-3-ylpropyl]propanamide
CID 110361050
1-(2-methylphenyl)-2-pyridin-3-ylethanol
CID 62551193
N-[2-hydroxy-2-(2-methylphenyl)ethyl]-2-(pyridin-3-ylmethylsulfanyl)acetamide
CID 111119811
N-[(1R,2R)-2-amino-1-(2,6-dimethylphenyl)-3-pyridin-3-ylpropyl]propanamide
CID 142633127
1-[1-(2-methylphenyl)ethyl]-3-(pyridin-3-ylmethyl)urea
CID 47014443
ethyl N-[2-(4-methylphenyl)-3-pyridin-3-ylpropyl]carbamate
CID 110361056
2-[(2-methylbenzoyl)amino]-3-pyridin-3-ylpropanoic acid
CID 166310358
N-(2-benzyl-3-methylbutyl)-2-pyridin-3-ylacetamide
CID 119045205
2-methyl-1-pyridin-3-ylpentan-3-one
CID 57063498
ethyl 2-fluoro-3-pyridin-3-ylpropanoate
CID 55265604
N-[1-(2-methylphenyl)ethyl]-3-(pyridin-3-ylsulfonylamino)propanamide
CID 47027647

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methylphenyl)-3-pyridin-3-ylpropyl]propanamide?
The IUPAC name of N-[2-(2-methylphenyl)-3-pyridin-3-ylpropyl]propanamide (CID 110361067) is N-[2-(2-methylphenyl)-3-pyridin-3-ylpropyl]propanamide.
What is the SMILES notation for N-[2-(2-methylphenyl)-3-pyridin-3-ylpropyl]propanamide?
The canonical SMILES for N-[2-(2-methylphenyl)-3-pyridin-3-ylpropyl]propanamide is CCC(=O)NCC(Cc1cccnc1)c1ccccc1C.
What is the InChIKey of N-[2-(2-methylphenyl)-3-pyridin-3-ylpropyl]propanamide?
The InChIKey is FRBHBGVUROKJJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O/c1-3-18(21)20-13-16(11-15-8-6-10-19-12-15)17-9-5-4-7-14(17)2/h4-10,12,16H,3,11,13H2,1-2H3,(H,20,21).
What are the key properties of N-[2-(2-methylphenyl)-3-pyridin-3-ylpropyl]propanamide?
N-[2-(2-methylphenyl)-3-pyridin-3-ylpropyl]propanamide has a molecular weight of 282.39 g/mol, XLogP of 3.24, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methylphenyl)-3-pyridin-3-ylpropyl]propanamide is sourced from PubChem (CID 110361067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).