N-(2-methyl-4-pyridinyl)-3-oxo-3-phenylpropanamide

C15H14N2O2 — CID 110463363

IUPACN-(2-methyl-4-pyridinyl)-3-oxo-3-phenylpropanamide
SMILESCc1cc(NC(=O)CC(=O)c2ccccc2)ccn1
InChIInChI=1S/C15H14N2O2/c1-11-9-13(7-8-16-11)17-15(19)10-14(18)12-5-3-2-4-6-12/h2-9H,10H2,1H3,(H,16,17,19)
InChIKeyAADPLVHDZNWJOE-UHFFFAOYSA-N
MW254.29 g/mol
LogP2.60
Rot. Bonds4

About N-(2-methyl-4-pyridinyl)-3-oxo-3-phenylpropanamide

N-(2-methyl-4-pyridinyl)-3-oxo-3-phenylpropanamide (PubChem CID 110463363) has the molecular formula C15H14N2O2 and a molecular weight of 254.29 g/mol. Its IUPAC name is N-(2-methyl-4-pyridinyl)-3-oxo-3-phenylpropanamide.

Molecular Properties

Compound NameN-(2-methyl-4-pyridinyl)-3-oxo-3-phenylpropanamide
PubChem CID110463363
Molecular FormulaC15H14N2O2
Molecular Weight254.29 g/mol
Exact Mass254.11
IUPAC NameN-(2-methyl-4-pyridinyl)-3-oxo-3-phenylpropanamide
SMILESCc1cc(NC(=O)CC(=O)c2ccccc2)ccn1
InChIInChI=1S/C15H14N2O2/c1-11-9-13(7-8-16-11)17-15(19)10-14(18)12-5-3-2-4-6-12/h2-9H,10H2,1H3,(H,16,17,19)
InChIKeyAADPLVHDZNWJOE-UHFFFAOYSA-N
XLogP2.60
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

N-(2-methyl-4-pyridinyl)-2-phenoxyacetamide
CID 110756814
N-(4-methyl-2-pyridinyl)-3-oxo-3-phenylpropanamide
CID 101440867
N-(2-methyl-4-pyridinyl)butanamide
CID 78910950
N-(2-methyl-4-pyridinyl)-4-phenoxybutanamide
CID 110757265
4-(2-methylphenyl)-N-(2-methyl-4-pyridinyl)-4-oxobutanamide
CID 110676277
N-(2-methyl-4-pyridinyl)-3-phenacylsulfanylbenzamide
CID 84552750
2-[2-[(2-methyl-4-pyridinyl)amino]-2-oxoethoxy]acetic acid
CID 79235104
2-acetamido-N-(2-methyl-4-pyridinyl)acetamide
CID 110687090
2-(4-methylphenyl)-N-(2-methyl-4-pyridinyl)acetamide
CID 110756851
4-hydroxy-N-(2-methyl-4-pyridinyl)butanamide
CID 79240902
3-(methylamino)-N-(2-methyl-4-pyridinyl)propanamide
CID 79240940
2-(2-methoxyphenyl)-N-(2-methyl-4-pyridinyl)acetamide
CID 110756856

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-4-pyridinyl)-3-oxo-3-phenylpropanamide?
The IUPAC name of N-(2-methyl-4-pyridinyl)-3-oxo-3-phenylpropanamide (CID 110463363) is N-(2-methyl-4-pyridinyl)-3-oxo-3-phenylpropanamide.
What is the SMILES notation for N-(2-methyl-4-pyridinyl)-3-oxo-3-phenylpropanamide?
The canonical SMILES for N-(2-methyl-4-pyridinyl)-3-oxo-3-phenylpropanamide is Cc1cc(NC(=O)CC(=O)c2ccccc2)ccn1.
What is the InChIKey of N-(2-methyl-4-pyridinyl)-3-oxo-3-phenylpropanamide?
The InChIKey is AADPLVHDZNWJOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O2/c1-11-9-13(7-8-16-11)17-15(19)10-14(18)12-5-3-2-4-6-12/h2-9H,10H2,1H3,(H,16,17,19).
What are the key properties of N-(2-methyl-4-pyridinyl)-3-oxo-3-phenylpropanamide?
N-(2-methyl-4-pyridinyl)-3-oxo-3-phenylpropanamide has a molecular weight of 254.29 g/mol, XLogP of 2.60, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-4-pyridinyl)-3-oxo-3-phenylpropanamide is sourced from PubChem (CID 110463363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).