N-[(E)-3-amino-3-oxo-1-pyridin-3-ylprop-1-en-2-yl]benzamide

C15H13N3O2 — CID 768793

IUPACN-[(E)-3-amino-3-oxo-1-pyridin-3-ylprop-1-en-2-yl]benzamide
SMILESNC(=O)/C(=C\c1cccnc1)NC(=O)c1ccccc1
InChIInChI=1S/C15H13N3O2/c16-14(19)13(9-11-5-4-8-17-10-11)18-15(20)12-6-2-1-3-7-12/h1-10H,(H2,16,19)(H,18,20)/b13-9+
InChIKeyBTPRMLZJMRFEFK-UKTHLTGXSA-N
MW267.29 g/mol
LogP1.34
Rot. Bonds4

About N-[(E)-3-amino-3-oxo-1-pyridin-3-ylprop-1-en-2-yl]benzamide

N-[(E)-3-amino-3-oxo-1-pyridin-3-ylprop-1-en-2-yl]benzamide (PubChem CID 768793) has the molecular formula C15H13N3O2 and a molecular weight of 267.29 g/mol. Its IUPAC name is N-[(E)-3-amino-3-oxo-1-pyridin-3-ylprop-1-en-2-yl]benzamide.

Molecular Properties

Compound NameN-[(E)-3-amino-3-oxo-1-pyridin-3-ylprop-1-en-2-yl]benzamide
PubChem CID768793
Molecular FormulaC15H13N3O2
Molecular Weight267.29 g/mol
Exact Mass267.10
IUPAC NameN-[(E)-3-amino-3-oxo-1-pyridin-3-ylprop-1-en-2-yl]benzamide
SMILESNC(=O)/C(=C\c1cccnc1)NC(=O)c1ccccc1
InChIInChI=1S/C15H13N3O2/c16-14(19)13(9-11-5-4-8-17-10-11)18-15(20)12-6-2-1-3-7-12/h1-10H,(H2,16,19)(H,18,20)/b13-9+
InChIKeyBTPRMLZJMRFEFK-UKTHLTGXSA-N
XLogP1.34
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(E)-3-amino-3-oxo-1-pyridin-3-ylprop-1-en-2-yl]benzamide?
The IUPAC name of N-[(E)-3-amino-3-oxo-1-pyridin-3-ylprop-1-en-2-yl]benzamide (CID 768793) is N-[(E)-3-amino-3-oxo-1-pyridin-3-ylprop-1-en-2-yl]benzamide.
What is the SMILES notation for N-[(E)-3-amino-3-oxo-1-pyridin-3-ylprop-1-en-2-yl]benzamide?
The canonical SMILES for N-[(E)-3-amino-3-oxo-1-pyridin-3-ylprop-1-en-2-yl]benzamide is NC(=O)/C(=C\c1cccnc1)NC(=O)c1ccccc1.
What is the InChIKey of N-[(E)-3-amino-3-oxo-1-pyridin-3-ylprop-1-en-2-yl]benzamide?
The InChIKey is BTPRMLZJMRFEFK-UKTHLTGXSA-N. The full InChI is InChI=1S/C15H13N3O2/c16-14(19)13(9-11-5-4-8-17-10-11)18-15(20)12-6-2-1-3-7-12/h1-10H,(H2,16,19)(H,18,20)/b13-9+.
What are the key properties of N-[(E)-3-amino-3-oxo-1-pyridin-3-ylprop-1-en-2-yl]benzamide?
N-[(E)-3-amino-3-oxo-1-pyridin-3-ylprop-1-en-2-yl]benzamide has a molecular weight of 267.29 g/mol, XLogP of 1.34, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-3-amino-3-oxo-1-pyridin-3-ylprop-1-en-2-yl]benzamide is sourced from PubChem (CID 768793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).