(E)-3-(3,4-dimethoxyphenyl)-N-(pyrazolo[1,5-a]pyridin-2-ylmethyl)prop-2-enamide

C19H19N3O3 — CID 90569541

IUPAC(E)-3-(3,4-dimethoxyphenyl)-N-(pyrazolo[1,5-a]pyridin-2-ylmethyl)prop-2-enamide
SMILESCOc1ccc(/C=C/C(=O)NCc2cc3ccccn3n2)cc1OC
InChIInChI=1S/C19H19N3O3/c1-24-17-8-6-14(11-18(17)25-2)7-9-19(23)20-13-15-12-16-5-3-4-10-22(16)21-15/h3-12H,13H2,1-2H3,(H,20,23)/b9-7+
InChIKeyQFRCCRXYJVUDDH-VQHVLOKHSA-N
MW337.38 g/mol
LogP2.68
Rot. Bonds6

About (E)-3-(3,4-dimethoxyphenyl)-N-(pyrazolo[1,5-a]pyridin-2-ylmethyl)prop-2-enamide

(E)-3-(3,4-dimethoxyphenyl)-N-(pyrazolo[1,5-a]pyridin-2-ylmethyl)prop-2-enamide (PubChem CID 90569541) has the molecular formula C19H19N3O3 and a molecular weight of 337.38 g/mol. Its IUPAC name is (E)-3-(3,4-dimethoxyphenyl)-N-(pyrazolo[1,5-a]pyridin-2-ylmethyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(3,4-dimethoxyphenyl)-N-(pyrazolo[1,5-a]pyridin-2-ylmethyl)prop-2-enamide
PubChem CID90569541
Molecular FormulaC19H19N3O3
Molecular Weight337.38 g/mol
Exact Mass337.14
IUPAC Name(E)-3-(3,4-dimethoxyphenyl)-N-(pyrazolo[1,5-a]pyridin-2-ylmethyl)prop-2-enamide
SMILESCOc1ccc(/C=C/C(=O)NCc2cc3ccccn3n2)cc1OC
InChIInChI=1S/C19H19N3O3/c1-24-17-8-6-14(11-18(17)25-2)7-9-19(23)20-13-15-12-16-5-3-4-10-22(16)21-15/h3-12H,13H2,1-2H3,(H,20,23)/b9-7+
InChIKeyQFRCCRXYJVUDDH-VQHVLOKHSA-N
XLogP2.68
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 52.68
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

(E)-3-(3,4-dimethoxyphenyl)-N-[(1-methyl-5-pyridin-2-ylpyrazol-3-yl)methyl]prop-2-enamide
CID 71797641
(E)-3-(3,4-dimethoxyphenyl)-N-[(4-imidazol-1-ylphenyl)methyl]prop-2-enamide
CID 92646919
(E)-3-(3,4-dimethoxyphenyl)-N-[2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethyl]prop-2-enamide
CID 51124333
(E)-N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-3-(3,4-dimethoxyphenyl)prop-2-enamide
CID 8943367
(Z)-3-(3,4-dimethoxyphenyl)-N-[3-[[(Z)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]amino]propyl]prop-2-enamide
CID 92928565
(E)-N-[(3,4-dimethoxyphenyl)methyl]-3-(3-ethoxy-4-methoxyphenyl)prop-2-enamide
CID 9241050
(E)-3-(3,4-dimethoxyphenyl)-N-[[2-(dimethylamino)-6-methylpyrimidin-4-yl]methyl]prop-2-enamide
CID 99829546
(E)-3-(3,4-dimethoxyphenyl)-N-(3-imidazol-1-ylpropyl)prop-2-enamide
CID 6310678
3-(3,4-dimethoxyphenyl)-N-[2-(2-methoxyphenoxy)ethyl]prop-2-enamide
CID 5217365
3-(3,4-dimethoxyphenyl)-N-[(4-fluorophenyl)methyl]prop-2-enamide
CID 898590
3-(3,4-dimethoxyphenyl)-N-[2-[(6-pyrrol-1-ylpyridazin-3-yl)amino]ethyl]prop-2-enamide
CID 71960490
(E)-N-benzyl-3-(3-methoxy-4-phenylmethoxyphenyl)prop-2-enamide
CID 1188981

Frequently Asked Questions

What is the IUPAC name of (E)-3-(3,4-dimethoxyphenyl)-N-(pyrazolo[1,5-a]pyridin-2-ylmethyl)prop-2-enamide?
The IUPAC name of (E)-3-(3,4-dimethoxyphenyl)-N-(pyrazolo[1,5-a]pyridin-2-ylmethyl)prop-2-enamide (CID 90569541) is (E)-3-(3,4-dimethoxyphenyl)-N-(pyrazolo[1,5-a]pyridin-2-ylmethyl)prop-2-enamide.
What is the SMILES notation for (E)-3-(3,4-dimethoxyphenyl)-N-(pyrazolo[1,5-a]pyridin-2-ylmethyl)prop-2-enamide?
The canonical SMILES for (E)-3-(3,4-dimethoxyphenyl)-N-(pyrazolo[1,5-a]pyridin-2-ylmethyl)prop-2-enamide is COc1ccc(/C=C/C(=O)NCc2cc3ccccn3n2)cc1OC.
What is the InChIKey of (E)-3-(3,4-dimethoxyphenyl)-N-(pyrazolo[1,5-a]pyridin-2-ylmethyl)prop-2-enamide?
The InChIKey is QFRCCRXYJVUDDH-VQHVLOKHSA-N. The full InChI is InChI=1S/C19H19N3O3/c1-24-17-8-6-14(11-18(17)25-2)7-9-19(23)20-13-15-12-16-5-3-4-10-22(16)21-15/h3-12H,13H2,1-2H3,(H,20,23)/b9-7+.
What are the key properties of (E)-3-(3,4-dimethoxyphenyl)-N-(pyrazolo[1,5-a]pyridin-2-ylmethyl)prop-2-enamide?
(E)-3-(3,4-dimethoxyphenyl)-N-(pyrazolo[1,5-a]pyridin-2-ylmethyl)prop-2-enamide has a molecular weight of 337.38 g/mol, XLogP of 2.68, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(3,4-dimethoxyphenyl)-N-(pyrazolo[1,5-a]pyridin-2-ylmethyl)prop-2-enamide is sourced from PubChem (CID 90569541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).