N-(5-methyl-2-pyridinyl)-4-oxo-4-phenylbutanamide

C16H16N2O2 — CID 35022311

IUPACN-(5-methyl-2-pyridinyl)-4-oxo-4-phenylbutanamide
SMILESCc1ccc(NC(=O)CCC(=O)c2ccccc2)nc1
InChIInChI=1S/C16H16N2O2/c1-12-7-9-15(17-11-12)18-16(20)10-8-14(19)13-5-3-2-4-6-13/h2-7,9,11H,8,10H2,1H3,(H,17,18,20)
InChIKeyFJFBHWTULWJENB-UHFFFAOYSA-N
MW268.32 g/mol
LogP2.99
Rot. Bonds5

About N-(5-methyl-2-pyridinyl)-4-oxo-4-phenylbutanamide

N-(5-methyl-2-pyridinyl)-4-oxo-4-phenylbutanamide (PubChem CID 35022311) has the molecular formula C16H16N2O2 and a molecular weight of 268.32 g/mol. Its IUPAC name is N-(5-methyl-2-pyridinyl)-4-oxo-4-phenylbutanamide.

Molecular Properties

Compound NameN-(5-methyl-2-pyridinyl)-4-oxo-4-phenylbutanamide
PubChem CID35022311
Molecular FormulaC16H16N2O2
Molecular Weight268.32 g/mol
Exact Mass268.12
IUPAC NameN-(5-methyl-2-pyridinyl)-4-oxo-4-phenylbutanamide
SMILESCc1ccc(NC(=O)CCC(=O)c2ccccc2)nc1
InChIInChI=1S/C16H16N2O2/c1-12-7-9-15(17-11-12)18-16(20)10-8-14(19)13-5-3-2-4-6-13/h2-7,9,11H,8,10H2,1H3,(H,17,18,20)
InChIKeyFJFBHWTULWJENB-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-[3-[(5-methyl-2-pyridinyl)amino]-3-oxopropyl]benzamide
CID 35022049
4-(4-methylphenyl)-4-oxo-N-pyridin-2-ylbutanamide
CID 35034572
methyl 4-[(5-methyl-2-pyridinyl)amino]-4-oxobutanoate
CID 47150722
N-(5-methyl-2-pyridinyl)-4-(5-methylthiophen-2-yl)-4-oxobutanamide
CID 18106816
4-(4-methylphenyl)-4-oxo-N-phenylbutanamide
CID 956933
3-methoxy-N-(5-methyl-2-pyridinyl)propanamide
CID 127118084
N-(5-methyl-2-pyridinyl)hexanamide
CID 5105013
4-oxo-4-phenyl-N-(2,4,6-trimethylphenyl)butanamide
CID 78776242
N-(5-methyl-2-pyridinyl)-2-sulfanylacetamide
CID 83773687
3-[(5-methyl-2-pyridinyl)amino]-1,3-diphenylpropan-1-one
CID 14936528
N-(5-methyl-2-pyridinyl)-3-(2-phenylphenoxy)propanamide
CID 52710581
4-oxo-N,4-diphenylbutanamide
CID 825307

Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-2-pyridinyl)-4-oxo-4-phenylbutanamide?
The IUPAC name of N-(5-methyl-2-pyridinyl)-4-oxo-4-phenylbutanamide (CID 35022311) is N-(5-methyl-2-pyridinyl)-4-oxo-4-phenylbutanamide.
What is the SMILES notation for N-(5-methyl-2-pyridinyl)-4-oxo-4-phenylbutanamide?
The canonical SMILES for N-(5-methyl-2-pyridinyl)-4-oxo-4-phenylbutanamide is Cc1ccc(NC(=O)CCC(=O)c2ccccc2)nc1.
What is the InChIKey of N-(5-methyl-2-pyridinyl)-4-oxo-4-phenylbutanamide?
The InChIKey is FJFBHWTULWJENB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O2/c1-12-7-9-15(17-11-12)18-16(20)10-8-14(19)13-5-3-2-4-6-13/h2-7,9,11H,8,10H2,1H3,(H,17,18,20).
What are the key properties of N-(5-methyl-2-pyridinyl)-4-oxo-4-phenylbutanamide?
N-(5-methyl-2-pyridinyl)-4-oxo-4-phenylbutanamide 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 N-(5-methyl-2-pyridinyl)-4-oxo-4-phenylbutanamide is sourced from PubChem (CID 35022311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).