(E)-3-(5-methylfuran-2-yl)-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]prop-2-enamide

C16H16N4O2 — CID 94502820

IUPAC(E)-3-(5-methylfuran-2-yl)-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]prop-2-enamide
SMILESCc1ccc(/C=C/C(=O)NCCc2nnc3ccccn23)o1
InChIInChI=1S/C16H16N4O2/c1-12-5-6-13(22-12)7-8-16(21)17-10-9-15-19-18-14-4-2-3-11-20(14)15/h2-8,11H,9-10H2,1H3,(H,17,21)/b8-7+
InChIKeyDSUKXGBXUOCVBW-BQYQJAHWSA-N
MW296.33 g/mol
LogP2.00
Rot. Bonds5

About (E)-3-(5-methylfuran-2-yl)-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]prop-2-enamide

(E)-3-(5-methylfuran-2-yl)-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]prop-2-enamide (PubChem CID 94502820) has the molecular formula C16H16N4O2 and a molecular weight of 296.33 g/mol. Its IUPAC name is (E)-3-(5-methylfuran-2-yl)-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(5-methylfuran-2-yl)-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]prop-2-enamide
PubChem CID94502820
Molecular FormulaC16H16N4O2
Molecular Weight296.33 g/mol
Exact Mass296.13
IUPAC Name(E)-3-(5-methylfuran-2-yl)-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]prop-2-enamide
SMILESCc1ccc(/C=C/C(=O)NCCc2nnc3ccccn23)o1
InChIInChI=1S/C16H16N4O2/c1-12-5-6-13(22-12)7-8-16(21)17-10-9-15-19-18-14-4-2-3-11-20(14)15/h2-8,11H,9-10H2,1H3,(H,17,21)/b8-7+
InChIKeyDSUKXGBXUOCVBW-BQYQJAHWSA-N
XLogP2.00
TPSA72.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-methyl-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]furan-2-carboxamide
CID 23474329
(E)-3-(2,4-dichlorophenyl)-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]prop-2-enamide
CID 7711717
(E)-3-(5-methylfuran-2-yl)-N-[3-[[(E)-3-(5-methylfuran-2-yl)prop-2-enoyl]amino]propyl]prop-2-enamide
CID 6074056
3-(3-ethoxy-4-methoxyphenyl)-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]prop-2-enamide
CID 78810296
1-(5-methylfuran-2-yl)-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]ethanamine
CID 43203680
(E)-3-(4-methylphenyl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)prop-2-enamide
CID 17439947
2-(methylamino)-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]propanamide
CID 62638996
1-[[(1R,2S)-2-methylcyclopropyl]methyl]-3-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]urea
CID 94167814
N-[2-(1,3-benzothiazol-2-yl)ethyl]-3-(5-methylfuran-2-yl)prop-2-enamide
CID 75620261
3-methyl-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]butanamide
CID 24629916
(E)-3-phenyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)prop-2-enamide
CID 9020986
2,5-dimethyl-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]benzamide
CID 24535728

Frequently Asked Questions

What is the IUPAC name of (E)-3-(5-methylfuran-2-yl)-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]prop-2-enamide?
The IUPAC name of (E)-3-(5-methylfuran-2-yl)-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]prop-2-enamide (CID 94502820) is (E)-3-(5-methylfuran-2-yl)-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]prop-2-enamide.
What is the SMILES notation for (E)-3-(5-methylfuran-2-yl)-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]prop-2-enamide?
The canonical SMILES for (E)-3-(5-methylfuran-2-yl)-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]prop-2-enamide is Cc1ccc(/C=C/C(=O)NCCc2nnc3ccccn23)o1.
What is the InChIKey of (E)-3-(5-methylfuran-2-yl)-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]prop-2-enamide?
The InChIKey is DSUKXGBXUOCVBW-BQYQJAHWSA-N. The full InChI is InChI=1S/C16H16N4O2/c1-12-5-6-13(22-12)7-8-16(21)17-10-9-15-19-18-14-4-2-3-11-20(14)15/h2-8,11H,9-10H2,1H3,(H,17,21)/b8-7+.
What are the key properties of (E)-3-(5-methylfuran-2-yl)-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]prop-2-enamide?
(E)-3-(5-methylfuran-2-yl)-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]prop-2-enamide has a molecular weight of 296.33 g/mol, XLogP of 2.00, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(5-methylfuran-2-yl)-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]prop-2-enamide is sourced from PubChem (CID 94502820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).