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

C15H14N2O2 — CID 101440867

IUPACN-(4-methyl-2-pyridinyl)-3-oxo-3-phenylpropanamide
SMILESCc1ccnc(NC(=O)CC(=O)c2ccccc2)c1
InChIInChI=1S/C15H14N2O2/c1-11-7-8-16-14(9-11)17-15(19)10-13(18)12-5-3-2-4-6-12/h2-9H,10H2,1H3,(H,16,17,19)
InChIKeyGCGFMFNFNNBBHJ-UHFFFAOYSA-N
MW254.29 g/mol
LogP2.60
Rot. Bonds4

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

N-(4-methyl-2-pyridinyl)-3-oxo-3-phenylpropanamide (PubChem CID 101440867) has the molecular formula C15H14N2O2 and a molecular weight of 254.29 g/mol. Its IUPAC name is N-(4-methyl-2-pyridinyl)-3-oxo-3-phenylpropanamide.

Molecular Properties

Compound NameN-(4-methyl-2-pyridinyl)-3-oxo-3-phenylpropanamide
PubChem CID101440867
Molecular FormulaC15H14N2O2
Molecular Weight254.29 g/mol
Exact Mass254.11
IUPAC NameN-(4-methyl-2-pyridinyl)-3-oxo-3-phenylpropanamide
SMILESCc1ccnc(NC(=O)CC(=O)c2ccccc2)c1
InChIInChI=1S/C15H14N2O2/c1-11-7-8-16-14(9-11)17-15(19)10-13(18)12-5-3-2-4-6-12/h2-9H,10H2,1H3,(H,16,17,19)
InChIKeyGCGFMFNFNNBBHJ-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-(4-methyl-2-pyridinyl)-2-phenylacetamide
CID 4232423
N-(2-methyl-4-pyridinyl)-3-oxo-3-phenylpropanamide
CID 110463363
N-[[4-[(4-methyl-2-pyridinyl)amino]-4-oxobutan-2-ylidene]amino]benzamide
CID 4233732
4-benzamido-N-(4-methyl-2-pyridinyl)benzamide
CID 17153203
N-(5-methyl-1H-pyrazol-3-yl)-3-oxo-3-phenylpropanamide
CID 110463355
4-methyl-N-[(E)-1-phenylprop-1-enyl]pyridin-2-amine
CID 163430358
N-(4-methyl-2-pyridinyl)-3-phenylsulfanylpropanamide
CID 1251693
2-benzylsulfonyl-N-(4-methyl-2-pyridinyl)acetamide
CID 1094082
N-[(2S)-1-[(4-methyl-2-pyridinyl)amino]-1-oxopropan-2-yl]benzamide
CID 41083862
2-methoxy-N-(4-methyl-2-pyridinyl)acetamide
CID 23657944
2-(cyclopropylamino)-N-(4-methyl-2-pyridinyl)acetamide
CID 60842851
4-amino-N-(4-methyl-2-pyridinyl)-4-phenylbutanamide
CID 63324069

Frequently Asked Questions

What is the IUPAC name of N-(4-methyl-2-pyridinyl)-3-oxo-3-phenylpropanamide?
The IUPAC name of N-(4-methyl-2-pyridinyl)-3-oxo-3-phenylpropanamide (CID 101440867) is N-(4-methyl-2-pyridinyl)-3-oxo-3-phenylpropanamide.
What is the SMILES notation for N-(4-methyl-2-pyridinyl)-3-oxo-3-phenylpropanamide?
The canonical SMILES for N-(4-methyl-2-pyridinyl)-3-oxo-3-phenylpropanamide is Cc1ccnc(NC(=O)CC(=O)c2ccccc2)c1.
What is the InChIKey of N-(4-methyl-2-pyridinyl)-3-oxo-3-phenylpropanamide?
The InChIKey is GCGFMFNFNNBBHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O2/c1-11-7-8-16-14(9-11)17-15(19)10-13(18)12-5-3-2-4-6-12/h2-9H,10H2,1H3,(H,16,17,19).
What are the key properties of N-(4-methyl-2-pyridinyl)-3-oxo-3-phenylpropanamide?
N-(4-methyl-2-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-(4-methyl-2-pyridinyl)-3-oxo-3-phenylpropanamide is sourced from PubChem (CID 101440867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).