(E)-3-(2-methylphenyl)-N-[(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)methyl]prop-2-enamide

C21H26N4O — CID 122352919

IUPAC(E)-3-(2-methylphenyl)-N-[(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)methyl]prop-2-enamide
SMILESCc1cc(CNC(=O)/C=C/c2ccccc2C)nc(N2CCCCC2)n1
InChIInChI=1S/C21H26N4O/c1-16-8-4-5-9-18(16)10-11-20(26)22-15-19-14-17(2)23-21(24-19)25-12-6-3-7-13-25/h4-5,8-11,14H,3,6-7,12-13,15H2,1-2H3,(H,22,26)/b11-10+
InChIKeyVHRNYPLQWOSIGX-ZHACJKMWSA-N
MW350.47 g/mol
LogP3.41
Rot. Bonds5

About (E)-3-(2-methylphenyl)-N-[(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)methyl]prop-2-enamide

(E)-3-(2-methylphenyl)-N-[(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)methyl]prop-2-enamide (PubChem CID 122352919) has the molecular formula C21H26N4O and a molecular weight of 350.47 g/mol. Its IUPAC name is (E)-3-(2-methylphenyl)-N-[(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)methyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(2-methylphenyl)-N-[(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)methyl]prop-2-enamide
PubChem CID122352919
Molecular FormulaC21H26N4O
Molecular Weight350.47 g/mol
Exact Mass350.21
IUPAC Name(E)-3-(2-methylphenyl)-N-[(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)methyl]prop-2-enamide
SMILESCc1cc(CNC(=O)/C=C/c2ccccc2C)nc(N2CCCCC2)n1
InChIInChI=1S/C21H26N4O/c1-16-8-4-5-9-18(16)10-11-20(26)22-15-19-14-17(2)23-21(24-19)25-12-6-3-7-13-25/h4-5,8-11,14H,3,6-7,12-13,15H2,1-2H3,(H,22,26)/b11-10+
InChIKeyVHRNYPLQWOSIGX-ZHACJKMWSA-N
XLogP3.41
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.47
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (E)-3-(2-methylphenyl)-N-[(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)methyl]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

2-(2-chlorophenyl)-N-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]acetamide
CID 122352355
1-(3-methylphenyl)-3-[(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)methyl]urea
CID 122352687
N-[(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)methyl]-2-phenoxyacetamide
CID 72718308
(E)-3-(2-chlorophenyl)-N-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)methyl]prop-2-enamide
CID 122318190
N-[(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)methyl]cyclobutanecarboxamide
CID 122352828
N-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]-2-phenoxyacetamide
CID 122352239
(E)-3-(2-chlorophenyl)-N-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)methyl]prop-2-enamide
CID 122317790
(E)-3-(2-fluorophenyl)-N-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)methyl]prop-2-enamide
CID 122317929
3,3,3-trifluoro-N-[(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)methyl]propanamide
CID 122352907
3-(dimethylamino)-N-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]benzamide
CID 122352419
1-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]-3-[2-(trifluoromethyl)phenyl]urea
CID 122352598
2-(1,3-benzodioxol-5-yl)-N-[(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)methyl]acetamide
CID 122352849

Frequently Asked Questions

What is the IUPAC name of (E)-3-(2-methylphenyl)-N-[(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)methyl]prop-2-enamide?
The IUPAC name of (E)-3-(2-methylphenyl)-N-[(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)methyl]prop-2-enamide (CID 122352919) is (E)-3-(2-methylphenyl)-N-[(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)methyl]prop-2-enamide.
What is the SMILES notation for (E)-3-(2-methylphenyl)-N-[(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)methyl]prop-2-enamide?
The canonical SMILES for (E)-3-(2-methylphenyl)-N-[(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)methyl]prop-2-enamide is Cc1cc(CNC(=O)/C=C/c2ccccc2C)nc(N2CCCCC2)n1.
What is the InChIKey of (E)-3-(2-methylphenyl)-N-[(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)methyl]prop-2-enamide?
The InChIKey is VHRNYPLQWOSIGX-ZHACJKMWSA-N. The full InChI is InChI=1S/C21H26N4O/c1-16-8-4-5-9-18(16)10-11-20(26)22-15-19-14-17(2)23-21(24-19)25-12-6-3-7-13-25/h4-5,8-11,14H,3,6-7,12-13,15H2,1-2H3,(H,22,26)/b11-10+.
What are the key properties of (E)-3-(2-methylphenyl)-N-[(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)methyl]prop-2-enamide?
(E)-3-(2-methylphenyl)-N-[(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)methyl]prop-2-enamide has a molecular weight of 350.47 g/mol, XLogP of 3.41, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(2-methylphenyl)-N-[(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)methyl]prop-2-enamide is sourced from PubChem (CID 122352919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).