(Z)-N-[2-(4-oxo-1,2,3-benzotriazin-3-yl)ethyl]-3-pyridin-3-ylprop-2-enamide

C17H15N5O2 — CID 91818540

IUPAC(Z)-N-[2-(4-oxo-1,2,3-benzotriazin-3-yl)ethyl]-3-pyridin-3-ylprop-2-enamide
SMILESO=C(/C=C\c1cccnc1)NCCn1nnc2ccccc2c1=O
InChIInChI=1S/C17H15N5O2/c23-16(8-7-13-4-3-9-18-12-13)19-10-11-22-17(24)14-5-1-2-6-15(14)20-21-22/h1-9,12H,10-11H2,(H,19,23)/b8-7-
InChIKeyBTZTVBVDYADREE-FPLPWBNLSA-N
MW321.34 g/mol
LogP1.02
Rot. Bonds5

About (Z)-N-[2-(4-oxo-1,2,3-benzotriazin-3-yl)ethyl]-3-pyridin-3-ylprop-2-enamide

(Z)-N-[2-(4-oxo-1,2,3-benzotriazin-3-yl)ethyl]-3-pyridin-3-ylprop-2-enamide (PubChem CID 91818540) has the molecular formula C17H15N5O2 and a molecular weight of 321.34 g/mol. Its IUPAC name is (Z)-N-[2-(4-oxo-1,2,3-benzotriazin-3-yl)ethyl]-3-pyridin-3-ylprop-2-enamide.

Molecular Properties

Compound Name(Z)-N-[2-(4-oxo-1,2,3-benzotriazin-3-yl)ethyl]-3-pyridin-3-ylprop-2-enamide
PubChem CID91818540
Molecular FormulaC17H15N5O2
Molecular Weight321.34 g/mol
Exact Mass321.12
IUPAC Name(Z)-N-[2-(4-oxo-1,2,3-benzotriazin-3-yl)ethyl]-3-pyridin-3-ylprop-2-enamide
SMILESO=C(/C=C\c1cccnc1)NCCn1nnc2ccccc2c1=O
InChIInChI=1S/C17H15N5O2/c23-16(8-7-13-4-3-9-18-12-13)19-10-11-22-17(24)14-5-1-2-6-15(14)20-21-22/h1-9,12H,10-11H2,(H,19,23)/b8-7-
InChIKeyBTZTVBVDYADREE-FPLPWBNLSA-N
XLogP1.02
TPSA89.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.34
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(Z)-N-[2-(4-oxo-1,2,3-benzotriazin-3-yl)ethyl]-3-thiophen-2-ylprop-2-enamide
CID 117055273
(E)-N-(2-hydroxyethyl)-3-pyridin-3-ylprop-2-enamide
CID 43416816
3-pyridin-3-yl-N-(3-sulfonylpropyl)prop-2-enamide
CID 173201309
(Z)-N-[4-(4-naphthalen-1-ylpiperazin-1-yl)butyl]-3-pyridin-3-ylprop-2-enamide
CID 66594534
5-bromo-N-[2-(4-oxo-1,2,3-benzotriazin-3-yl)ethyl]furan-2-carboxamide
CID 91818533
N-[2-(5-methyl-3-pyridin-3-ylpyrazol-1-yl)ethyl]-3-phenylprop-2-enamide
CID 171130626
N-[2-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]ethyl]-3-pyridin-3-ylprop-2-enamide
CID 71960670
4-(4-oxo-1,2,3-benzotriazin-3-yl)-N-(2-pyrrol-1-ylethyl)butanamide
CID 56761021
7-(3-pyridin-3-ylprop-2-enoylamino)heptanoic acid
CID 74872321
(E)-N-[2-(2,4-dihydroxyphenyl)ethyl]-3-pyridin-3-ylprop-2-enamide
CID 20701349
N-[2-(4-oxo-1,2,3-benzotriazin-3-yl)ethyl]-3-(4-oxoquinazolin-3-yl)propanamide
CID 91818526
N-(3-methyl-2-pyridinyl)-4-(4-oxo-1,2,3-benzotriazin-3-yl)butanamide
CID 51049182

Frequently Asked Questions

What is the IUPAC name of (Z)-N-[2-(4-oxo-1,2,3-benzotriazin-3-yl)ethyl]-3-pyridin-3-ylprop-2-enamide?
The IUPAC name of (Z)-N-[2-(4-oxo-1,2,3-benzotriazin-3-yl)ethyl]-3-pyridin-3-ylprop-2-enamide (CID 91818540) is (Z)-N-[2-(4-oxo-1,2,3-benzotriazin-3-yl)ethyl]-3-pyridin-3-ylprop-2-enamide.
What is the SMILES notation for (Z)-N-[2-(4-oxo-1,2,3-benzotriazin-3-yl)ethyl]-3-pyridin-3-ylprop-2-enamide?
The canonical SMILES for (Z)-N-[2-(4-oxo-1,2,3-benzotriazin-3-yl)ethyl]-3-pyridin-3-ylprop-2-enamide is O=C(/C=C\c1cccnc1)NCCn1nnc2ccccc2c1=O.
What is the InChIKey of (Z)-N-[2-(4-oxo-1,2,3-benzotriazin-3-yl)ethyl]-3-pyridin-3-ylprop-2-enamide?
The InChIKey is BTZTVBVDYADREE-FPLPWBNLSA-N. The full InChI is InChI=1S/C17H15N5O2/c23-16(8-7-13-4-3-9-18-12-13)19-10-11-22-17(24)14-5-1-2-6-15(14)20-21-22/h1-9,12H,10-11H2,(H,19,23)/b8-7-.
What are the key properties of (Z)-N-[2-(4-oxo-1,2,3-benzotriazin-3-yl)ethyl]-3-pyridin-3-ylprop-2-enamide?
(Z)-N-[2-(4-oxo-1,2,3-benzotriazin-3-yl)ethyl]-3-pyridin-3-ylprop-2-enamide has a molecular weight of 321.34 g/mol, XLogP of 1.02, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-[2-(4-oxo-1,2,3-benzotriazin-3-yl)ethyl]-3-pyridin-3-ylprop-2-enamide is sourced from PubChem (CID 91818540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).