4-(4-methylphenyl)-4-oxo-N-pyridin-2-ylbutanamide

C16H16N2O2 — CID 35034572

IUPAC4-(4-methylphenyl)-4-oxo-N-pyridin-2-ylbutanamide
SMILESCc1ccc(C(=O)CCC(=O)Nc2ccccn2)cc1
InChIInChI=1S/C16H16N2O2/c1-12-5-7-13(8-6-12)14(19)9-10-16(20)18-15-4-2-3-11-17-15/h2-8,11H,9-10H2,1H3,(H,17,18,20)
InChIKeyBVYGNBPTPPDARA-UHFFFAOYSA-N
MW268.32 g/mol
LogP2.99
Rot. Bonds5

About 4-(4-methylphenyl)-4-oxo-N-pyridin-2-ylbutanamide

4-(4-methylphenyl)-4-oxo-N-pyridin-2-ylbutanamide (PubChem CID 35034572) has the molecular formula C16H16N2O2 and a molecular weight of 268.32 g/mol. Its IUPAC name is 4-(4-methylphenyl)-4-oxo-N-pyridin-2-ylbutanamide.

Molecular Properties

Compound Name4-(4-methylphenyl)-4-oxo-N-pyridin-2-ylbutanamide
PubChem CID35034572
Molecular FormulaC16H16N2O2
Molecular Weight268.32 g/mol
Exact Mass268.12
IUPAC Name4-(4-methylphenyl)-4-oxo-N-pyridin-2-ylbutanamide
SMILESCc1ccc(C(=O)CCC(=O)Nc2ccccn2)cc1
InChIInChI=1S/C16H16N2O2/c1-12-5-7-13(8-6-12)14(19)9-10-16(20)18-15-4-2-3-11-17-15/h2-8,11H,9-10H2,1H3,(H,17,18,20)
InChIKeyBVYGNBPTPPDARA-UHFFFAOYSA-N
XLogP2.99
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,N'-dipyridin-2-ylbutanediamide
CID 3684644
N-(5-methyl-2-pyridinyl)-4-oxo-4-phenylbutanamide
CID 35022311
5-oxo-5-phenyl-N-pyridin-2-ylpentanamide
CID 108796237
4-(4-methylphenyl)-4-oxo-N-phenylbutanamide
CID 956933
4-(2-methoxy-5-methylphenyl)-4-oxo-N-pyridin-2-ylbutanamide
CID 35035900
4-(4-methylphenyl)-4-oxo-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)butanamide
CID 51154196
4-(4-methylphenyl)-4-oxo-N-(1,3-thiazol-2-yl)butanamide
CID 23849935
molecular hydrogen;N-pyridin-2-ylbutanamide
CID 142960531
1-(4-methylphenyl)-3-(pyridin-2-ylmethylamino)propan-1-one
CID 94270980
N-[2-[(2-cyanoacetyl)amino]phenyl]-4-(4-methylphenyl)-4-oxobutanamide
CID 108922894
3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-pyridin-2-ylpropanamide
CID 18107156
N'-[2-(tert-butylamino)-2-oxoethyl]-N'-(4-methylphenyl)-N-pyridin-2-ylbutanediamide
CID 3205027

Frequently Asked Questions

What is the IUPAC name of 4-(4-methylphenyl)-4-oxo-N-pyridin-2-ylbutanamide?
The IUPAC name of 4-(4-methylphenyl)-4-oxo-N-pyridin-2-ylbutanamide (CID 35034572) is 4-(4-methylphenyl)-4-oxo-N-pyridin-2-ylbutanamide.
What is the SMILES notation for 4-(4-methylphenyl)-4-oxo-N-pyridin-2-ylbutanamide?
The canonical SMILES for 4-(4-methylphenyl)-4-oxo-N-pyridin-2-ylbutanamide is Cc1ccc(C(=O)CCC(=O)Nc2ccccn2)cc1.
What is the InChIKey of 4-(4-methylphenyl)-4-oxo-N-pyridin-2-ylbutanamide?
The InChIKey is BVYGNBPTPPDARA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O2/c1-12-5-7-13(8-6-12)14(19)9-10-16(20)18-15-4-2-3-11-17-15/h2-8,11H,9-10H2,1H3,(H,17,18,20).
What are the key properties of 4-(4-methylphenyl)-4-oxo-N-pyridin-2-ylbutanamide?
4-(4-methylphenyl)-4-oxo-N-pyridin-2-ylbutanamide has a molecular weight of 268.32 g/mol, XLogP of 2.99, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylphenyl)-4-oxo-N-pyridin-2-ylbutanamide is sourced from PubChem (CID 35034572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).