(E)-3-(2,5-dimethyl-1-phenylpyrrol-3-yl)-N-pyridin-3-ylprop-2-enamide

C20H19N3O — CID 26817365

IUPAC(E)-3-(2,5-dimethyl-1-phenylpyrrol-3-yl)-N-pyridin-3-ylprop-2-enamide
SMILESCc1cc(/C=C/C(=O)Nc2cccnc2)c(C)n1-c1ccccc1
InChIInChI=1S/C20H19N3O/c1-15-13-17(16(2)23(15)19-8-4-3-5-9-19)10-11-20(24)22-18-7-6-12-21-14-18/h3-14H,1-2H3,(H,22,24)/b11-10+
InChIKeyIUAOTWBEENPHJE-ZHACJKMWSA-N
MW317.39 g/mol
LogP4.14
Rot. Bonds4

About (E)-3-(2,5-dimethyl-1-phenylpyrrol-3-yl)-N-pyridin-3-ylprop-2-enamide

(E)-3-(2,5-dimethyl-1-phenylpyrrol-3-yl)-N-pyridin-3-ylprop-2-enamide (PubChem CID 26817365) has the molecular formula C20H19N3O and a molecular weight of 317.39 g/mol. Its IUPAC name is (E)-3-(2,5-dimethyl-1-phenylpyrrol-3-yl)-N-pyridin-3-ylprop-2-enamide.

Molecular Properties

Compound Name(E)-3-(2,5-dimethyl-1-phenylpyrrol-3-yl)-N-pyridin-3-ylprop-2-enamide
PubChem CID26817365
Molecular FormulaC20H19N3O
Molecular Weight317.39 g/mol
Exact Mass317.15
IUPAC Name(E)-3-(2,5-dimethyl-1-phenylpyrrol-3-yl)-N-pyridin-3-ylprop-2-enamide
SMILESCc1cc(/C=C/C(=O)Nc2cccnc2)c(C)n1-c1ccccc1
InChIInChI=1S/C20H19N3O/c1-15-13-17(16(2)23(15)19-8-4-3-5-9-19)10-11-20(24)22-18-7-6-12-21-14-18/h3-14H,1-2H3,(H,22,24)/b11-10+
InChIKeyIUAOTWBEENPHJE-ZHACJKMWSA-N
XLogP4.14
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'pyrrole_A(118)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(E)-N-(2,6-diethylphenyl)-3-(2,5-dimethyl-1-phenylpyrrol-3-yl)prop-2-enamide
CID 18266697
N-cyclopropyl-4-[[(E)-3-(2,5-dimethyl-1-phenylpyrrol-3-yl)prop-2-enoyl]amino]benzamide
CID 18230757
(E)-N-[4-(2-amino-2-oxoethoxy)phenyl]-3-(2,5-dimethyl-1-phenylpyrrol-3-yl)prop-2-enamide
CID 55566812
(E)-3-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)-N-pyridin-3-ylprop-2-enamide
CID 26592504
(E)-3-(2,5-dimethyl-1-phenylpyrrol-3-yl)-N-(1-hydroxypropan-2-yl)prop-2-enamide
CID 78857442
(E)-3-(2,5-dimethyl-1-phenylpyrrol-3-yl)-N-[4-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]prop-2-enamide
CID 25332251
(E)-N-[2-(difluoromethoxy)phenyl]-3-(2,5-dimethyl-1-phenylpyrrol-3-yl)prop-2-enamide
CID 18284123
methyl 4-[(E)-3-oxo-3-(pyridin-3-ylamino)prop-1-enyl]benzoate
CID 26592488
N-[2-[(3-cyano-2-pyridinyl)amino]ethyl]-3-(2,5-dimethyl-1-phenylpyrrol-3-yl)prop-2-enamide
CID 55729648
(E)-3-(2,5-dimethoxyphenyl)-N-pyridin-3-ylprop-2-enamide
CID 26592309
(E)-3-(2-anilinopyrimidin-5-yl)-N-pyridin-3-ylprop-2-enamide
CID 126493187
(E)-1-(azetidin-1-yl)-3-(2,5-dimethyl-1-phenylpyrrol-3-yl)prop-2-en-1-one
CID 17441452

Frequently Asked Questions

What is the IUPAC name of (E)-3-(2,5-dimethyl-1-phenylpyrrol-3-yl)-N-pyridin-3-ylprop-2-enamide?
The IUPAC name of (E)-3-(2,5-dimethyl-1-phenylpyrrol-3-yl)-N-pyridin-3-ylprop-2-enamide (CID 26817365) is (E)-3-(2,5-dimethyl-1-phenylpyrrol-3-yl)-N-pyridin-3-ylprop-2-enamide.
What is the SMILES notation for (E)-3-(2,5-dimethyl-1-phenylpyrrol-3-yl)-N-pyridin-3-ylprop-2-enamide?
The canonical SMILES for (E)-3-(2,5-dimethyl-1-phenylpyrrol-3-yl)-N-pyridin-3-ylprop-2-enamide is Cc1cc(/C=C/C(=O)Nc2cccnc2)c(C)n1-c1ccccc1.
What is the InChIKey of (E)-3-(2,5-dimethyl-1-phenylpyrrol-3-yl)-N-pyridin-3-ylprop-2-enamide?
The InChIKey is IUAOTWBEENPHJE-ZHACJKMWSA-N. The full InChI is InChI=1S/C20H19N3O/c1-15-13-17(16(2)23(15)19-8-4-3-5-9-19)10-11-20(24)22-18-7-6-12-21-14-18/h3-14H,1-2H3,(H,22,24)/b11-10+.
What are the key properties of (E)-3-(2,5-dimethyl-1-phenylpyrrol-3-yl)-N-pyridin-3-ylprop-2-enamide?
(E)-3-(2,5-dimethyl-1-phenylpyrrol-3-yl)-N-pyridin-3-ylprop-2-enamide has a molecular weight of 317.39 g/mol, XLogP of 4.14, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(2,5-dimethyl-1-phenylpyrrol-3-yl)-N-pyridin-3-ylprop-2-enamide is sourced from PubChem (CID 26817365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).