(E)-3-(2,5-dimethoxyphenyl)-N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]prop-2-enamide

C20H20N4O3 — CID 25337635

IUPAC(E)-3-(2,5-dimethoxyphenyl)-N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]prop-2-enamide
SMILESCOc1ccc(OC)c(/C=C/C(=O)NCc2ccc(-n3cccn3)nc2)c1
InChIInChI=1S/C20H20N4O3/c1-26-17-6-7-18(27-2)16(12-17)5-9-20(25)22-14-15-4-8-19(21-13-15)24-11-3-10-23-24/h3-13H,14H2,1-2H3,(H,22,25)/b9-5+
InChIKeyAASZGEJBSPUJOO-WEVVVXLNSA-N
MW364.41 g/mol
LogP2.61
Rot. Bonds7

About (E)-3-(2,5-dimethoxyphenyl)-N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]prop-2-enamide

(E)-3-(2,5-dimethoxyphenyl)-N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]prop-2-enamide (PubChem CID 25337635) has the molecular formula C20H20N4O3 and a molecular weight of 364.41 g/mol. Its IUPAC name is (E)-3-(2,5-dimethoxyphenyl)-N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(2,5-dimethoxyphenyl)-N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]prop-2-enamide
PubChem CID25337635
Molecular FormulaC20H20N4O3
Molecular Weight364.41 g/mol
Exact Mass364.15
IUPAC Name(E)-3-(2,5-dimethoxyphenyl)-N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]prop-2-enamide
SMILESCOc1ccc(OC)c(/C=C/C(=O)NCc2ccc(-n3cccn3)nc2)c1
InChIInChI=1S/C20H20N4O3/c1-26-17-6-7-18(27-2)16(12-17)5-9-20(25)22-14-15-4-8-19(21-13-15)24-11-3-10-23-24/h3-13H,14H2,1-2H3,(H,22,25)/b9-5+
InChIKeyAASZGEJBSPUJOO-WEVVVXLNSA-N
XLogP2.61
TPSA78.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.41
LogP ≤ 52.61
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

(E)-3-(2,5-dimethoxyphenyl)-N-[[6-(2-methoxyethoxy)-3-pyridinyl]methyl]prop-2-enamide
CID 55744442
N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]-3-(2,3,4-trimethoxyphenyl)propanamide
CID 47062005
(E)-3-(2,5-dimethoxyphenyl)-N-[(4-sulfamoylphenyl)methyl]prop-2-enamide
CID 2684663
(2R)-2-[(3-methoxyphenyl)methoxy]-N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]propanamide
CID 51943718
(E)-N-[(6-methoxynaphthalen-2-yl)methyl]-3-(2-methoxyphenyl)prop-2-enamide
CID 46524786
tert-butyl N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]carbamate
CID 134193569
4,6,7-trimethoxy-N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]-1H-indole-2-carboxamide
CID 47029950
N-[4-[[[(E)-3-(2,5-dimethoxyphenyl)prop-2-enoyl]amino]methyl]phenyl]-2-methylpropanamide
CID 55509565
(E)-3-(2,5-dimethoxyphenyl)-N-(2-pyridin-4-ylethyl)prop-2-enamide
CID 51058064
2-(4-methoxyphenyl)-4-methyl-N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]-1,3-thiazole-5-carboxamide
CID 25332321
(E)-3-(2,4-dimethoxyphenyl)-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]prop-2-enamide
CID 37426781
(E)-3-(2,5-dimethoxyphenyl)-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]prop-2-enamide
CID 94178991

Frequently Asked Questions

What is the IUPAC name of (E)-3-(2,5-dimethoxyphenyl)-N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]prop-2-enamide?
The IUPAC name of (E)-3-(2,5-dimethoxyphenyl)-N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]prop-2-enamide (CID 25337635) is (E)-3-(2,5-dimethoxyphenyl)-N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]prop-2-enamide.
What is the SMILES notation for (E)-3-(2,5-dimethoxyphenyl)-N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]prop-2-enamide?
The canonical SMILES for (E)-3-(2,5-dimethoxyphenyl)-N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]prop-2-enamide is COc1ccc(OC)c(/C=C/C(=O)NCc2ccc(-n3cccn3)nc2)c1.
What is the InChIKey of (E)-3-(2,5-dimethoxyphenyl)-N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]prop-2-enamide?
The InChIKey is AASZGEJBSPUJOO-WEVVVXLNSA-N. The full InChI is InChI=1S/C20H20N4O3/c1-26-17-6-7-18(27-2)16(12-17)5-9-20(25)22-14-15-4-8-19(21-13-15)24-11-3-10-23-24/h3-13H,14H2,1-2H3,(H,22,25)/b9-5+.
What are the key properties of (E)-3-(2,5-dimethoxyphenyl)-N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]prop-2-enamide?
(E)-3-(2,5-dimethoxyphenyl)-N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]prop-2-enamide has a molecular weight of 364.41 g/mol, XLogP of 2.61, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(2,5-dimethoxyphenyl)-N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]prop-2-enamide is sourced from PubChem (CID 25337635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).