(E)-3-(4-chlorophenyl)-N-[4-(dimethylamino)-2-piperidin-1-ylpyrimidin-5-yl]prop-2-enamide

C20H24ClN5O — CID 122320289

IUPAC(E)-3-(4-chlorophenyl)-N-[4-(dimethylamino)-2-piperidin-1-ylpyrimidin-5-yl]prop-2-enamide
SMILESCN(C)c1nc(N2CCCCC2)ncc1NC(=O)/C=C/c1ccc(Cl)cc1
InChIInChI=1S/C20H24ClN5O/c1-25(2)19-17(14-22-20(24-19)26-12-4-3-5-13-26)23-18(27)11-8-15-6-9-16(21)10-7-15/h6-11,14H,3-5,12-13H2,1-2H3,(H,23,27)/b11-8+
InChIKeyAVAMOYAFJXWRGH-DHZHZOJOSA-N
MW385.90 g/mol
LogP3.84
Rot. Bonds5

About (E)-3-(4-chlorophenyl)-N-[4-(dimethylamino)-2-piperidin-1-ylpyrimidin-5-yl]prop-2-enamide

(E)-3-(4-chlorophenyl)-N-[4-(dimethylamino)-2-piperidin-1-ylpyrimidin-5-yl]prop-2-enamide (PubChem CID 122320289) has the molecular formula C20H24ClN5O and a molecular weight of 385.90 g/mol. Its IUPAC name is (E)-3-(4-chlorophenyl)-N-[4-(dimethylamino)-2-piperidin-1-ylpyrimidin-5-yl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(4-chlorophenyl)-N-[4-(dimethylamino)-2-piperidin-1-ylpyrimidin-5-yl]prop-2-enamide
PubChem CID122320289
Molecular FormulaC20H24ClN5O
Molecular Weight385.90 g/mol
Exact Mass385.17
IUPAC Name(E)-3-(4-chlorophenyl)-N-[4-(dimethylamino)-2-piperidin-1-ylpyrimidin-5-yl]prop-2-enamide
SMILESCN(C)c1nc(N2CCCCC2)ncc1NC(=O)/C=C/c1ccc(Cl)cc1
InChIInChI=1S/C20H24ClN5O/c1-25(2)19-17(14-22-20(24-19)26-12-4-3-5-13-26)23-18(27)11-8-15-6-9-16(21)10-7-15/h6-11,14H,3-5,12-13H2,1-2H3,(H,23,27)/b11-8+
InChIKeyAVAMOYAFJXWRGH-DHZHZOJOSA-N
XLogP3.84
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.90
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (E)-3-(4-chlorophenyl)-N-[4-(dimethylamino)-2-piperidin-1-ylpyrimidin-5-yl]prop-2-enamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(E)-N-[4-(dimethylamino)-2-pyrrolidin-1-ylpyrimidin-5-yl]-3-(4-methoxyphenyl)prop-2-enamide
CID 122319992
2-(4-chlorophenoxy)-N-[4-(dimethylamino)-2-pyrrolidin-1-ylpyrimidin-5-yl]acetamide
CID 91969330
2-chloro-N-[4-(dimethylamino)-2-piperidin-1-ylpyrimidin-5-yl]-6-fluorobenzamide
CID 91969367
1-(2-chlorophenyl)-3-[4-(dimethylamino)-2-pyrrolidin-1-ylpyrimidin-5-yl]urea
CID 71807700
4-acetyl-N-[4-(dimethylamino)-2-piperidin-1-ylpyrimidin-5-yl]benzamide
CID 122320305
3-(3-chlorophenyl)-N-[4-(dimethylamino)-2-piperidin-1-ylpyrimidin-5-yl]propanamide
CID 122320244
N-[4-(dimethylamino)-2-piperidin-1-ylpyrimidin-5-yl]-2-methylbenzamide
CID 91969347
3-(4-chlorophenyl)-N-(3-chloro-2-piperidin-1-ylphenyl)prop-2-enamide
CID 4028317
1-[4-(dimethylamino)-2-pyrrolidin-1-ylpyrimidin-5-yl]-3-(2-methylphenyl)urea
CID 91966423
2-cyclopentyl-N-[4-(dimethylamino)-2-piperidin-1-ylpyrimidin-5-yl]acetamide
CID 122320170
N-[4-(dimethylamino)-2-pyrrolidin-1-ylpyrimidin-5-yl]-2,4-difluorobenzamide
CID 91969334
N-[4-(dimethylamino)-2-pyrrolidin-1-ylpyrimidin-5-yl]-4-phenylbenzamide
CID 91969317

Frequently Asked Questions

What is the IUPAC name of (E)-3-(4-chlorophenyl)-N-[4-(dimethylamino)-2-piperidin-1-ylpyrimidin-5-yl]prop-2-enamide?
The IUPAC name of (E)-3-(4-chlorophenyl)-N-[4-(dimethylamino)-2-piperidin-1-ylpyrimidin-5-yl]prop-2-enamide (CID 122320289) is (E)-3-(4-chlorophenyl)-N-[4-(dimethylamino)-2-piperidin-1-ylpyrimidin-5-yl]prop-2-enamide.
What is the SMILES notation for (E)-3-(4-chlorophenyl)-N-[4-(dimethylamino)-2-piperidin-1-ylpyrimidin-5-yl]prop-2-enamide?
The canonical SMILES for (E)-3-(4-chlorophenyl)-N-[4-(dimethylamino)-2-piperidin-1-ylpyrimidin-5-yl]prop-2-enamide is CN(C)c1nc(N2CCCCC2)ncc1NC(=O)/C=C/c1ccc(Cl)cc1.
What is the InChIKey of (E)-3-(4-chlorophenyl)-N-[4-(dimethylamino)-2-piperidin-1-ylpyrimidin-5-yl]prop-2-enamide?
The InChIKey is AVAMOYAFJXWRGH-DHZHZOJOSA-N. The full InChI is InChI=1S/C20H24ClN5O/c1-25(2)19-17(14-22-20(24-19)26-12-4-3-5-13-26)23-18(27)11-8-15-6-9-16(21)10-7-15/h6-11,14H,3-5,12-13H2,1-2H3,(H,23,27)/b11-8+.
What are the key properties of (E)-3-(4-chlorophenyl)-N-[4-(dimethylamino)-2-piperidin-1-ylpyrimidin-5-yl]prop-2-enamide?
(E)-3-(4-chlorophenyl)-N-[4-(dimethylamino)-2-piperidin-1-ylpyrimidin-5-yl]prop-2-enamide has a molecular weight of 385.90 g/mol, XLogP of 3.84, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(4-chlorophenyl)-N-[4-(dimethylamino)-2-piperidin-1-ylpyrimidin-5-yl]prop-2-enamide is sourced from PubChem (CID 122320289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).