N-(1-oxo-3-phenylprop-1-en-2-yl)-N-(pyridin-2-ylmethyl)acetamide

C17H16N2O2 — CID 57202420

IUPACN-(1-oxo-3-phenylprop-1-en-2-yl)-N-(pyridin-2-ylmethyl)acetamide
SMILESCC(=O)N(Cc1ccccn1)C(=C=O)Cc1ccccc1
InChIInChI=1S/C17H16N2O2/c1-14(21)19(12-16-9-5-6-10-18-16)17(13-20)11-15-7-3-2-4-8-15/h2-10H,11-12H2,1H3
InChIKeyGCGBTVCIZRGODE-UHFFFAOYSA-N
MW280.33 g/mol
LogP2.39
Rot. Bonds5

About N-(1-oxo-3-phenylprop-1-en-2-yl)-N-(pyridin-2-ylmethyl)acetamide

N-(1-oxo-3-phenylprop-1-en-2-yl)-N-(pyridin-2-ylmethyl)acetamide (PubChem CID 57202420) has the molecular formula C17H16N2O2 and a molecular weight of 280.33 g/mol. Its IUPAC name is N-(1-oxo-3-phenylprop-1-en-2-yl)-N-(pyridin-2-ylmethyl)acetamide.

Molecular Properties

Compound NameN-(1-oxo-3-phenylprop-1-en-2-yl)-N-(pyridin-2-ylmethyl)acetamide
PubChem CID57202420
Molecular FormulaC17H16N2O2
Molecular Weight280.33 g/mol
Exact Mass280.12
IUPAC NameN-(1-oxo-3-phenylprop-1-en-2-yl)-N-(pyridin-2-ylmethyl)acetamide
SMILESCC(=O)N(Cc1ccccn1)C(=C=O)Cc1ccccc1
InChIInChI=1S/C17H16N2O2/c1-14(21)19(12-16-9-5-6-10-18-16)17(13-20)11-15-7-3-2-4-8-15/h2-10H,11-12H2,1H3
InChIKeyGCGBTVCIZRGODE-UHFFFAOYSA-N
XLogP2.39
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ketene', 'substructure': 'N/A'}

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Related Compounds

N-(3-oxo-1-phenylprop-1-en-2-yl)-N-(pyridin-2-ylmethyl)acetamide
CID 54378282
acetic acid;2-[bis(pyridin-2-ylmethyl)amino]acetic acid
CID 162118901
2-[2-[acetyl(pyridin-2-ylmethyl)carbamoyl]oxyethoxy]ethyl 2,2-dimethylpropanoate
CID 19886461
N-(benzenesulfonyl)-N-(pyridin-2-ylmethyl)acetamide
CID 168810754
3-[[methyl(pyridin-2-ylmethyl)amino]methyl]benzoic acid
CID 43565174
2-[bis(pyridin-2-ylmethyl)amino]propanoic acid;manganese(2+);hydrochloride
CID 25264863
acetic acid;2-ethylpyridine
CID 70072313
N-[2-[methylsulfonyl(pyridin-2-ylmethyl)amino]ethyl]-2-phenylacetamide
CID 113067268
2-[bis[2-[(1-carboxy-2,2-dimethylpropyl)-(pyridin-2-ylmethyl)amino]ethyl]amino]-3,3-dimethylbutanoic acid
CID 67876128
N-benzhydrylsulfinyl-N-(pyridin-2-ylmethyl)acetamide
CID 67640608
acetic acid;bis(1,3-bis[bis(pyridin-2-ylmethyl)amino]propan-2-ol);manganese
CID 158480900
N-benzyl-N-methyl-2-pyridin-2-ylethanamine;oxalic acid
CID 17384893

Frequently Asked Questions

What is the IUPAC name of N-(1-oxo-3-phenylprop-1-en-2-yl)-N-(pyridin-2-ylmethyl)acetamide?
The IUPAC name of N-(1-oxo-3-phenylprop-1-en-2-yl)-N-(pyridin-2-ylmethyl)acetamide (CID 57202420) is N-(1-oxo-3-phenylprop-1-en-2-yl)-N-(pyridin-2-ylmethyl)acetamide.
What is the SMILES notation for N-(1-oxo-3-phenylprop-1-en-2-yl)-N-(pyridin-2-ylmethyl)acetamide?
The canonical SMILES for N-(1-oxo-3-phenylprop-1-en-2-yl)-N-(pyridin-2-ylmethyl)acetamide is CC(=O)N(Cc1ccccn1)C(=C=O)Cc1ccccc1.
What is the InChIKey of N-(1-oxo-3-phenylprop-1-en-2-yl)-N-(pyridin-2-ylmethyl)acetamide?
The InChIKey is GCGBTVCIZRGODE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O2/c1-14(21)19(12-16-9-5-6-10-18-16)17(13-20)11-15-7-3-2-4-8-15/h2-10H,11-12H2,1H3.
What are the key properties of N-(1-oxo-3-phenylprop-1-en-2-yl)-N-(pyridin-2-ylmethyl)acetamide?
N-(1-oxo-3-phenylprop-1-en-2-yl)-N-(pyridin-2-ylmethyl)acetamide has a molecular weight of 280.33 g/mol, XLogP of 2.39, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-oxo-3-phenylprop-1-en-2-yl)-N-(pyridin-2-ylmethyl)acetamide is sourced from PubChem (CID 57202420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).