(E)-3-(3-ethoxy-4-propoxyphenyl)-N-(2-pyrazol-1-yl-3-pyridinyl)prop-2-enamide

C22H24N4O3 — CID 55611611

IUPAC(E)-3-(3-ethoxy-4-propoxyphenyl)-N-(2-pyrazol-1-yl-3-pyridinyl)prop-2-enamide
SMILESCCCOc1ccc(/C=C/C(=O)Nc2cccnc2-n2cccn2)cc1OCC
InChIInChI=1S/C22H24N4O3/c1-3-15-29-19-10-8-17(16-20(19)28-4-2)9-11-21(27)25-18-7-5-12-23-22(18)26-14-6-13-24-26/h5-14,16H,3-4,15H2,1-2H3,(H,25,27)/b11-9+
InChIKeyFHFBWXPDTZXEJE-PKNBQFBNSA-N
MW392.46 g/mol
LogP4.11
Rot. Bonds9

About (E)-3-(3-ethoxy-4-propoxyphenyl)-N-(2-pyrazol-1-yl-3-pyridinyl)prop-2-enamide

(E)-3-(3-ethoxy-4-propoxyphenyl)-N-(2-pyrazol-1-yl-3-pyridinyl)prop-2-enamide (PubChem CID 55611611) has the molecular formula C22H24N4O3 and a molecular weight of 392.46 g/mol. Its IUPAC name is (E)-3-(3-ethoxy-4-propoxyphenyl)-N-(2-pyrazol-1-yl-3-pyridinyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(3-ethoxy-4-propoxyphenyl)-N-(2-pyrazol-1-yl-3-pyridinyl)prop-2-enamide
PubChem CID55611611
Molecular FormulaC22H24N4O3
Molecular Weight392.46 g/mol
Exact Mass392.18
IUPAC Name(E)-3-(3-ethoxy-4-propoxyphenyl)-N-(2-pyrazol-1-yl-3-pyridinyl)prop-2-enamide
SMILESCCCOc1ccc(/C=C/C(=O)Nc2cccnc2-n2cccn2)cc1OCC
InChIInChI=1S/C22H24N4O3/c1-3-15-29-19-10-8-17(16-20(19)28-4-2)9-11-21(27)25-18-7-5-12-23-22(18)26-14-6-13-24-26/h5-14,16H,3-4,15H2,1-2H3,(H,25,27)/b11-9+
InChIKeyFHFBWXPDTZXEJE-PKNBQFBNSA-N
XLogP4.11
TPSA78.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 54.11
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-[4-(cyanomethoxy)-3-methoxyphenyl]-N-(2-pyrazol-1-yl-3-pyridinyl)prop-2-enamide
CID 30884925
(E)-3-(4-ethoxy-3-methoxyphenyl)-N-(2-pyrazol-1-ylphenyl)prop-2-enamide
CID 55647282
(E)-3-[4-(difluoromethoxy)-3-methoxyphenyl]-N-(2-pyrazol-1-yl-3-pyridinyl)prop-2-enamide
CID 30884903
4-(2-ethoxyphenoxy)-N-(2-pyrazol-1-yl-3-pyridinyl)butanamide
CID 30884899
(E)-3-(1-methylpyrazol-4-yl)-N-(2-pyrazol-1-yl-3-pyridinyl)prop-2-enamide
CID 30885025
N-(2-acetamido-5-chlorophenyl)-3-(3-ethoxy-4-propoxyphenyl)prop-2-enamide
CID 76878434
(E)-N-(2-chlorophenyl)-3-(3,4-diethoxyphenyl)prop-2-enamide
CID 732821
3-(3,4-diethoxyphenyl)-N-(2-methoxyphenyl)prop-2-enamide
CID 732806
(E)-N-(2-pyrazol-1-yl-3-pyridinyl)-3-(2,4,5-trimethylphenyl)prop-2-enamide
CID 60553158
(E)-N-(2-butoxyphenyl)-3-(3-ethoxy-4-methoxyphenyl)prop-2-enamide
CID 166162419
2-[[(E)-3-(4-methoxy-3-propoxyphenyl)prop-2-enoyl]amino]benzoic acid
CID 89064883
(E)-3-[3-ethoxy-4-(2-phenoxyethoxy)phenyl]-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]prop-2-enamide
CID 55619607

Frequently Asked Questions

What is the IUPAC name of (E)-3-(3-ethoxy-4-propoxyphenyl)-N-(2-pyrazol-1-yl-3-pyridinyl)prop-2-enamide?
The IUPAC name of (E)-3-(3-ethoxy-4-propoxyphenyl)-N-(2-pyrazol-1-yl-3-pyridinyl)prop-2-enamide (CID 55611611) is (E)-3-(3-ethoxy-4-propoxyphenyl)-N-(2-pyrazol-1-yl-3-pyridinyl)prop-2-enamide.
What is the SMILES notation for (E)-3-(3-ethoxy-4-propoxyphenyl)-N-(2-pyrazol-1-yl-3-pyridinyl)prop-2-enamide?
The canonical SMILES for (E)-3-(3-ethoxy-4-propoxyphenyl)-N-(2-pyrazol-1-yl-3-pyridinyl)prop-2-enamide is CCCOc1ccc(/C=C/C(=O)Nc2cccnc2-n2cccn2)cc1OCC.
What is the InChIKey of (E)-3-(3-ethoxy-4-propoxyphenyl)-N-(2-pyrazol-1-yl-3-pyridinyl)prop-2-enamide?
The InChIKey is FHFBWXPDTZXEJE-PKNBQFBNSA-N. The full InChI is InChI=1S/C22H24N4O3/c1-3-15-29-19-10-8-17(16-20(19)28-4-2)9-11-21(27)25-18-7-5-12-23-22(18)26-14-6-13-24-26/h5-14,16H,3-4,15H2,1-2H3,(H,25,27)/b11-9+.
What are the key properties of (E)-3-(3-ethoxy-4-propoxyphenyl)-N-(2-pyrazol-1-yl-3-pyridinyl)prop-2-enamide?
(E)-3-(3-ethoxy-4-propoxyphenyl)-N-(2-pyrazol-1-yl-3-pyridinyl)prop-2-enamide has a molecular weight of 392.46 g/mol, XLogP of 4.11, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(3-ethoxy-4-propoxyphenyl)-N-(2-pyrazol-1-yl-3-pyridinyl)prop-2-enamide is sourced from PubChem (CID 55611611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).