N-(4-methylphenyl)-N-(pyridin-3-ylmethyl)propanamide

C16H18N2O — CID 110360399

IUPACN-(4-methylphenyl)-N-(pyridin-3-ylmethyl)propanamide
SMILESCCC(=O)N(Cc1cccnc1)c1ccc(C)cc1
InChIInChI=1S/C16H18N2O/c1-3-16(19)18(12-14-5-4-10-17-11-14)15-8-6-13(2)7-9-15/h4-11H,3,12H2,1-2H3
InChIKeyJJXHCXCZHCOPCO-UHFFFAOYSA-N
MW254.33 g/mol
LogP3.33
Rot. Bonds4

About N-(4-methylphenyl)-N-(pyridin-3-ylmethyl)propanamide

N-(4-methylphenyl)-N-(pyridin-3-ylmethyl)propanamide (PubChem CID 110360399) has the molecular formula C16H18N2O and a molecular weight of 254.33 g/mol. Its IUPAC name is N-(4-methylphenyl)-N-(pyridin-3-ylmethyl)propanamide.

Molecular Properties

Compound NameN-(4-methylphenyl)-N-(pyridin-3-ylmethyl)propanamide
PubChem CID110360399
Molecular FormulaC16H18N2O
Molecular Weight254.33 g/mol
Exact Mass254.14
IUPAC NameN-(4-methylphenyl)-N-(pyridin-3-ylmethyl)propanamide
SMILESCCC(=O)N(Cc1cccnc1)c1ccc(C)cc1
InChIInChI=1S/C16H18N2O/c1-3-16(19)18(12-14-5-4-10-17-11-14)15-8-6-13(2)7-9-15/h4-11H,3,12H2,1-2H3
InChIKeyJJXHCXCZHCOPCO-UHFFFAOYSA-N
XLogP3.33
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-N-(4-methylphenyl)-N-(pyridin-3-ylmethyl)propanamide
CID 39368333
N-(4-methylphenyl)-N-[(4-methylphenyl)methyl]propanamide
CID 139238463
3-(1,3-dioxoisoindol-2-yl)-N-(4-methylphenyl)-N-(pyridin-3-ylmethyl)propanamide
CID 110360430
4-(4-methylphenyl)-4-oxo-N-phenyl-N-(pyridin-3-ylmethyl)butanamide
CID 110618743
N-(4-methylphenyl)-N-(pyridin-3-ylmethyl)cyclopentanecarboxamide
CID 110360406
ethyl N-(4-chlorophenyl)-N-(pyridin-3-ylmethyl)carbamate
CID 110361011
N-(pyridin-3-ylmethyl)propanehydrazide
CID 70312825
N-[2-(dimethylamino)ethyl]-N-(pyridin-3-ylmethyl)propanamide
CID 61243414
ethyl 4-[[2-(2,4-dimethylphenoxy)acetyl]-(pyridin-3-ylmethyl)amino]benzoate
CID 22777024
4-[4-[2-hydroxyethyl(propanoyl)amino]phenyl]-N-(pyridin-3-ylmethyl)benzamide
CID 147449748
N-(4-fluorophenyl)-2-(6-methyl-3-pyridinyl)-N-(pyridin-3-ylmethyl)acetamide
CID 75416170
3-[propanoyl(pyridin-3-ylmethyl)amino]propanoic acid
CID 82323263

Frequently Asked Questions

What is the IUPAC name of N-(4-methylphenyl)-N-(pyridin-3-ylmethyl)propanamide?
The IUPAC name of N-(4-methylphenyl)-N-(pyridin-3-ylmethyl)propanamide (CID 110360399) is N-(4-methylphenyl)-N-(pyridin-3-ylmethyl)propanamide.
What is the SMILES notation for N-(4-methylphenyl)-N-(pyridin-3-ylmethyl)propanamide?
The canonical SMILES for N-(4-methylphenyl)-N-(pyridin-3-ylmethyl)propanamide is CCC(=O)N(Cc1cccnc1)c1ccc(C)cc1.
What is the InChIKey of N-(4-methylphenyl)-N-(pyridin-3-ylmethyl)propanamide?
The InChIKey is JJXHCXCZHCOPCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O/c1-3-16(19)18(12-14-5-4-10-17-11-14)15-8-6-13(2)7-9-15/h4-11H,3,12H2,1-2H3.
What are the key properties of N-(4-methylphenyl)-N-(pyridin-3-ylmethyl)propanamide?
N-(4-methylphenyl)-N-(pyridin-3-ylmethyl)propanamide has a molecular weight of 254.33 g/mol, XLogP of 3.33, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylphenyl)-N-(pyridin-3-ylmethyl)propanamide is sourced from PubChem (CID 110360399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).