N-[2-(4-methylphenyl)-1-pyridin-2-ylethyl]butanamide

C18H22N2O — CID 56791179

IUPACN-[2-(4-methylphenyl)-1-pyridin-2-ylethyl]butanamide
SMILESCCCC(=O)NC(Cc1ccc(C)cc1)c1ccccn1
InChIInChI=1S/C18H22N2O/c1-3-6-18(21)20-17(16-7-4-5-12-19-16)13-15-10-8-14(2)9-11-15/h4-5,7-12,17H,3,6,13H2,1-2H3,(H,20,21)
InChIKeyQZFLTAPMCKBYJP-UHFFFAOYSA-N
MW282.39 g/mol
LogP3.59
Rot. Bonds6

About N-[2-(4-methylphenyl)-1-pyridin-2-ylethyl]butanamide

N-[2-(4-methylphenyl)-1-pyridin-2-ylethyl]butanamide (PubChem CID 56791179) has the molecular formula C18H22N2O and a molecular weight of 282.39 g/mol. Its IUPAC name is N-[2-(4-methylphenyl)-1-pyridin-2-ylethyl]butanamide.

Molecular Properties

Compound NameN-[2-(4-methylphenyl)-1-pyridin-2-ylethyl]butanamide
PubChem CID56791179
Molecular FormulaC18H22N2O
Molecular Weight282.39 g/mol
Exact Mass282.17
IUPAC NameN-[2-(4-methylphenyl)-1-pyridin-2-ylethyl]butanamide
SMILESCCCC(=O)NC(Cc1ccc(C)cc1)c1ccccn1
InChIInChI=1S/C18H22N2O/c1-3-6-18(21)20-17(16-7-4-5-12-19-16)13-15-10-8-14(2)9-11-15/h4-5,7-12,17H,3,6,13H2,1-2H3,(H,20,21)
InChIKeyQZFLTAPMCKBYJP-UHFFFAOYSA-N
XLogP3.59
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 ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methylphenyl)-1-pyridin-2-ylethyl]butanamide?
The IUPAC name of N-[2-(4-methylphenyl)-1-pyridin-2-ylethyl]butanamide (CID 56791179) is N-[2-(4-methylphenyl)-1-pyridin-2-ylethyl]butanamide.
What is the SMILES notation for N-[2-(4-methylphenyl)-1-pyridin-2-ylethyl]butanamide?
The canonical SMILES for N-[2-(4-methylphenyl)-1-pyridin-2-ylethyl]butanamide is CCCC(=O)NC(Cc1ccc(C)cc1)c1ccccn1.
What is the InChIKey of N-[2-(4-methylphenyl)-1-pyridin-2-ylethyl]butanamide?
The InChIKey is QZFLTAPMCKBYJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O/c1-3-6-18(21)20-17(16-7-4-5-12-19-16)13-15-10-8-14(2)9-11-15/h4-5,7-12,17H,3,6,13H2,1-2H3,(H,20,21).
What are the key properties of N-[2-(4-methylphenyl)-1-pyridin-2-ylethyl]butanamide?
N-[2-(4-methylphenyl)-1-pyridin-2-ylethyl]butanamide has a molecular weight of 282.39 g/mol, XLogP of 3.59, 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)-1-pyridin-2-ylethyl]butanamide is sourced from PubChem (CID 56791179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).