N-[2-(4-methylphenyl)-3-pyridin-3-ylpropyl]propanamide

C18H22N2O — CID 110361050

IUPACN-[2-(4-methylphenyl)-3-pyridin-3-ylpropyl]propanamide
SMILESCCC(=O)NCC(Cc1cccnc1)c1ccc(C)cc1
InChIInChI=1S/C18H22N2O/c1-3-18(21)20-13-17(11-15-5-4-10-19-12-15)16-8-6-14(2)7-9-16/h4-10,12,17H,3,11,13H2,1-2H3,(H,20,21)
InChIKeyCSPYOKXFJLCSLI-UHFFFAOYSA-N
MW282.39 g/mol
LogP3.24
Rot. Bonds6

About N-[2-(4-methylphenyl)-3-pyridin-3-ylpropyl]propanamide

N-[2-(4-methylphenyl)-3-pyridin-3-ylpropyl]propanamide (PubChem CID 110361050) has the molecular formula C18H22N2O and a molecular weight of 282.39 g/mol. Its IUPAC name is N-[2-(4-methylphenyl)-3-pyridin-3-ylpropyl]propanamide.

Molecular Properties

Compound NameN-[2-(4-methylphenyl)-3-pyridin-3-ylpropyl]propanamide
PubChem CID110361050
Molecular FormulaC18H22N2O
Molecular Weight282.39 g/mol
Exact Mass282.17
IUPAC NameN-[2-(4-methylphenyl)-3-pyridin-3-ylpropyl]propanamide
SMILESCCC(=O)NCC(Cc1cccnc1)c1ccc(C)cc1
InChIInChI=1S/C18H22N2O/c1-3-18(21)20-13-17(11-15-5-4-10-19-12-15)16-8-6-14(2)7-9-16/h4-10,12,17H,3,11,13H2,1-2H3,(H,20,21)
InChIKeyCSPYOKXFJLCSLI-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

ethyl N-[2-(4-methylphenyl)-3-pyridin-3-ylpropyl]carbamate
CID 110361056
N-[2-(2-methylphenyl)-3-pyridin-3-ylpropyl]propanamide
CID 110361067
N-[2-(4-methoxyphenyl)-3-pyridin-3-ylpropyl]pyridine-3-carboxamide
CID 110361132
2-(4-aminopiperidin-1-yl)-N-[2-(4-fluorophenyl)-3-pyridin-3-ylpropyl]acetamide
CID 18735085
N-ethyl-1-(4-methylphenyl)-2-pyridin-3-ylethanamine
CID 62551907
2-methyl-1-pyridin-3-ylpentan-3-one
CID 57063498
N-[(4-methylphenyl)methyl]-2-phenyl-3-pyridin-3-ylpropanamide
CID 110409246
2-(4-chlorophenyl)-N-[(4-methylphenyl)methyl]-3-pyridin-3-ylpropanamide
CID 110296757
1,1-diethyl-3-[2-(2-methylphenyl)-3-pyridin-3-ylpropyl]urea
CID 110361075
N-[(1R,2R)-2-amino-1-(2,6-dimethylphenyl)-3-pyridin-3-ylpropyl]propanamide
CID 142633127
N-[2-(hydroxymethyl)-3-pyridin-3-ylpropyl]-2-[4-(4-methylphenoxy)phenoxy]acetamide
CID 166192889
N-(2-phenyl-3-pyridin-4-ylpropyl)butanamide
CID 110361177

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methylphenyl)-3-pyridin-3-ylpropyl]propanamide?
The IUPAC name of N-[2-(4-methylphenyl)-3-pyridin-3-ylpropyl]propanamide (CID 110361050) is N-[2-(4-methylphenyl)-3-pyridin-3-ylpropyl]propanamide.
What is the SMILES notation for N-[2-(4-methylphenyl)-3-pyridin-3-ylpropyl]propanamide?
The canonical SMILES for N-[2-(4-methylphenyl)-3-pyridin-3-ylpropyl]propanamide is CCC(=O)NCC(Cc1cccnc1)c1ccc(C)cc1.
What is the InChIKey of N-[2-(4-methylphenyl)-3-pyridin-3-ylpropyl]propanamide?
The InChIKey is CSPYOKXFJLCSLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O/c1-3-18(21)20-13-17(11-15-5-4-10-19-12-15)16-8-6-14(2)7-9-16/h4-10,12,17H,3,11,13H2,1-2H3,(H,20,21).
What are the key properties of N-[2-(4-methylphenyl)-3-pyridin-3-ylpropyl]propanamide?
N-[2-(4-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-(4-methylphenyl)-3-pyridin-3-ylpropyl]propanamide is sourced from PubChem (CID 110361050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).