N-[4-(3-oxo-3-pyridin-3-ylprop-1-enyl)phenyl]acetamide

C16H14N2O2 — CID 622324

IUPACN-[4-(3-oxo-3-pyridin-3-ylprop-1-enyl)phenyl]acetamide
SMILESCC(=O)Nc1ccc(C=CC(=O)c2cccnc2)cc1
InChIInChI=1S/C16H14N2O2/c1-12(19)18-15-7-4-13(5-8-15)6-9-16(20)14-3-2-10-17-11-14/h2-11H,1H3,(H,18,19)
InChIKeyIKABVNSSTWDGCO-UHFFFAOYSA-N
MW266.30 g/mol
LogP2.94
Rot. Bonds4

About N-[4-(3-oxo-3-pyridin-3-ylprop-1-enyl)phenyl]acetamide

N-[4-(3-oxo-3-pyridin-3-ylprop-1-enyl)phenyl]acetamide (PubChem CID 622324) has the molecular formula C16H14N2O2 and a molecular weight of 266.30 g/mol. Its IUPAC name is N-[4-(3-oxo-3-pyridin-3-ylprop-1-enyl)phenyl]acetamide.

Molecular Properties

Compound NameN-[4-(3-oxo-3-pyridin-3-ylprop-1-enyl)phenyl]acetamide
PubChem CID622324
Molecular FormulaC16H14N2O2
Molecular Weight266.30 g/mol
Exact Mass266.11
IUPAC NameN-[4-(3-oxo-3-pyridin-3-ylprop-1-enyl)phenyl]acetamide
SMILESCC(=O)Nc1ccc(C=CC(=O)c2cccnc2)cc1
InChIInChI=1S/C16H14N2O2/c1-12(19)18-15-7-4-13(5-8-15)6-9-16(20)14-3-2-10-17-11-14/h2-11H,1H3,(H,18,19)
InChIKeyIKABVNSSTWDGCO-UHFFFAOYSA-N
XLogP2.94
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

acetic acid;copper;bis((E)-3-phenyl-1-pyridin-3-ylprop-2-en-1-one)
CID 134081608
N-(4-acetamidophenyl)pyridine-3-carboxamide
CID 766053
N-[3-[(Z)-3-[4-[(Z)-3-(3-acetamidophenyl)-3-oxoprop-1-enyl]phenyl]prop-2-enoyl]phenyl]acetamide
CID 21159287
(E)-3-(3,4-dimethoxyphenyl)-1-pyridin-3-ylprop-2-en-1-one;hydrate
CID 139076429
(E)-3-(6-methoxynaphthalen-2-yl)-1-pyridin-3-ylprop-2-en-1-one
CID 8854375
(E)-3-(3-hydroxy-4-methoxyphenyl)-1-pyridin-3-ylprop-2-en-1-one
CID 7946380
3-[3-fluoro-4-(3-oxo-3-pyridin-3-ylprop-1-enyl)phenyl]-N-hydroxyprop-2-enamide
CID 73035687
3-(3-chlorophenyl)-1-pyridin-3-ylprop-2-en-1-one
CID 4079633
(E)-3-(3-bromo-4-fluorophenyl)-1-pyridin-3-ylprop-2-en-1-one
CID 7514892
N-[4-[(E)-3-[3-(difluoromethoxy)phenyl]-3-oxoprop-1-enyl]phenyl]acetamide
CID 8827445
3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-pyridin-3-ylprop-2-en-1-one
CID 3581369
N-[4-[(1Z,4E)-5-(4-acetamidophenyl)-3-oxopenta-1,4-dienyl]phenyl]acetamide
CID 92840931

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-oxo-3-pyridin-3-ylprop-1-enyl)phenyl]acetamide?
The IUPAC name of N-[4-(3-oxo-3-pyridin-3-ylprop-1-enyl)phenyl]acetamide (CID 622324) is N-[4-(3-oxo-3-pyridin-3-ylprop-1-enyl)phenyl]acetamide.
What is the SMILES notation for N-[4-(3-oxo-3-pyridin-3-ylprop-1-enyl)phenyl]acetamide?
The canonical SMILES for N-[4-(3-oxo-3-pyridin-3-ylprop-1-enyl)phenyl]acetamide is CC(=O)Nc1ccc(C=CC(=O)c2cccnc2)cc1.
What is the InChIKey of N-[4-(3-oxo-3-pyridin-3-ylprop-1-enyl)phenyl]acetamide?
The InChIKey is IKABVNSSTWDGCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O2/c1-12(19)18-15-7-4-13(5-8-15)6-9-16(20)14-3-2-10-17-11-14/h2-11H,1H3,(H,18,19).
What are the key properties of N-[4-(3-oxo-3-pyridin-3-ylprop-1-enyl)phenyl]acetamide?
N-[4-(3-oxo-3-pyridin-3-ylprop-1-enyl)phenyl]acetamide has a molecular weight of 266.30 g/mol, XLogP of 2.94, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-oxo-3-pyridin-3-ylprop-1-enyl)phenyl]acetamide is sourced from PubChem (CID 622324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).