3,4-dimethoxy-5-prop-2-enyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)benzamide

C19H20N4O3 — CID 39441999

IUPAC3,4-dimethoxy-5-prop-2-enyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)benzamide
SMILESC=CCc1cc(C(=O)NCc2nnc3ccccn23)cc(OC)c1OC
InChIInChI=1S/C19H20N4O3/c1-4-7-13-10-14(11-15(25-2)18(13)26-3)19(24)20-12-17-22-21-16-8-5-6-9-23(16)17/h4-6,8-11H,1,7,12H2,2-3H3,(H,20,24)
InChIKeyVRSUKEVSPZWQSC-UHFFFAOYSA-N
MW352.39 g/mol
LogP2.40
Rot. Bonds7

About 3,4-dimethoxy-5-prop-2-enyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)benzamide

3,4-dimethoxy-5-prop-2-enyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)benzamide (PubChem CID 39441999) has the molecular formula C19H20N4O3 and a molecular weight of 352.39 g/mol. Its IUPAC name is 3,4-dimethoxy-5-prop-2-enyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)benzamide.

Molecular Properties

Compound Name3,4-dimethoxy-5-prop-2-enyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)benzamide
PubChem CID39441999
Molecular FormulaC19H20N4O3
Molecular Weight352.39 g/mol
Exact Mass352.15
IUPAC Name3,4-dimethoxy-5-prop-2-enyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)benzamide
SMILESC=CCc1cc(C(=O)NCc2nnc3ccccn23)cc(OC)c1OC
InChIInChI=1S/C19H20N4O3/c1-4-7-13-10-14(11-15(25-2)18(13)26-3)19(24)20-12-17-22-21-16-8-5-6-9-23(16)17/h4-6,8-11H,1,7,12H2,2-3H3,(H,20,24)
InChIKeyVRSUKEVSPZWQSC-UHFFFAOYSA-N
XLogP2.40
TPSA77.75 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-chloro-4,5-dimethoxy-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)benzamide
CID 9021133
3,5-dimethoxy-4-methyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)benzamide
CID 39761297
3-methoxy-4-prop-2-enoxy-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)benzamide
CID 27848760
4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxy-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)benzamide
CID 24610482
3,4,5-trimethoxy-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]benzamide
CID 45496104
N-[[2-(diethylaminomethyl)phenyl]methyl]-3,4-dimethoxy-5-prop-2-enylbenzamide
CID 24551115
N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)benzamide
CID 9020998
3,4-dimethoxy-N-(2-methylpropyl)-5-prop-2-enylbenzamide
CID 18106056
3,4-dimethoxy-N-[[4-(propan-2-yloxymethyl)phenyl]methyl]-5-prop-2-enylbenzamide
CID 55748619
3,4-dimethoxy-N-(3-phenylpropyl)-5-prop-2-enylbenzamide
CID 35806874
N-[2-(ethylamino)-2-oxoethyl]-3,4-dimethoxy-5-prop-2-enylbenzamide
CID 18145820
3-bromo-5-methyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)benzamide
CID 104852495

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethoxy-5-prop-2-enyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)benzamide?
The IUPAC name of 3,4-dimethoxy-5-prop-2-enyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)benzamide (CID 39441999) is 3,4-dimethoxy-5-prop-2-enyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)benzamide.
What is the SMILES notation for 3,4-dimethoxy-5-prop-2-enyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)benzamide?
The canonical SMILES for 3,4-dimethoxy-5-prop-2-enyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)benzamide is C=CCc1cc(C(=O)NCc2nnc3ccccn23)cc(OC)c1OC.
What is the InChIKey of 3,4-dimethoxy-5-prop-2-enyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)benzamide?
The InChIKey is VRSUKEVSPZWQSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O3/c1-4-7-13-10-14(11-15(25-2)18(13)26-3)19(24)20-12-17-22-21-16-8-5-6-9-23(16)17/h4-6,8-11H,1,7,12H2,2-3H3,(H,20,24).
What are the key properties of 3,4-dimethoxy-5-prop-2-enyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)benzamide?
3,4-dimethoxy-5-prop-2-enyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)benzamide has a molecular weight of 352.39 g/mol, XLogP of 2.40, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethoxy-5-prop-2-enyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)benzamide is sourced from PubChem (CID 39441999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).