1-(4-methyl-6-phenylpyrimidin-2-yl)-N-prop-2-enylpiperidine-4-carboxamide

C20H24N4O — CID 646087

IUPAC1-(4-methyl-6-phenylpyrimidin-2-yl)-N-prop-2-enylpiperidine-4-carboxamide
SMILESC=CCNC(=O)C1CCN(c2nc(C)cc(-c3ccccc3)n2)CC1
InChIInChI=1S/C20H24N4O/c1-3-11-21-19(25)17-9-12-24(13-10-17)20-22-15(2)14-18(23-20)16-7-5-4-6-8-16/h3-8,14,17H,1,9-13H2,2H3,(H,21,25)
InChIKeyTYAQBFYQXNIDBA-UHFFFAOYSA-N
MW336.44 g/mol
LogP2.97
Rot. Bonds5

About 1-(4-methyl-6-phenylpyrimidin-2-yl)-N-prop-2-enylpiperidine-4-carboxamide

1-(4-methyl-6-phenylpyrimidin-2-yl)-N-prop-2-enylpiperidine-4-carboxamide (PubChem CID 646087) has the molecular formula C20H24N4O and a molecular weight of 336.44 g/mol. Its IUPAC name is 1-(4-methyl-6-phenylpyrimidin-2-yl)-N-prop-2-enylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-(4-methyl-6-phenylpyrimidin-2-yl)-N-prop-2-enylpiperidine-4-carboxamide
PubChem CID646087
Molecular FormulaC20H24N4O
Molecular Weight336.44 g/mol
Exact Mass336.20
IUPAC Name1-(4-methyl-6-phenylpyrimidin-2-yl)-N-prop-2-enylpiperidine-4-carboxamide
SMILESC=CCNC(=O)C1CCN(c2nc(C)cc(-c3ccccc3)n2)CC1
InChIInChI=1S/C20H24N4O/c1-3-11-21-19(25)17-9-12-24(13-10-17)20-22-15(2)14-18(23-20)16-7-5-4-6-8-16/h3-8,14,17H,1,9-13H2,2H3,(H,21,25)
InChIKeyTYAQBFYQXNIDBA-UHFFFAOYSA-N
XLogP2.97
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-(4-methyl-6-phenylpyrimidin-2-yl)-N-prop-2-enylpiperidine-4-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(4-methyl-6-phenylpyrimidin-2-yl)-N-prop-2-enylpiperidine-4-carboxamide?
The IUPAC name of 1-(4-methyl-6-phenylpyrimidin-2-yl)-N-prop-2-enylpiperidine-4-carboxamide (CID 646087) is 1-(4-methyl-6-phenylpyrimidin-2-yl)-N-prop-2-enylpiperidine-4-carboxamide.
What is the SMILES notation for 1-(4-methyl-6-phenylpyrimidin-2-yl)-N-prop-2-enylpiperidine-4-carboxamide?
The canonical SMILES for 1-(4-methyl-6-phenylpyrimidin-2-yl)-N-prop-2-enylpiperidine-4-carboxamide is C=CCNC(=O)C1CCN(c2nc(C)cc(-c3ccccc3)n2)CC1.
What is the InChIKey of 1-(4-methyl-6-phenylpyrimidin-2-yl)-N-prop-2-enylpiperidine-4-carboxamide?
The InChIKey is TYAQBFYQXNIDBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O/c1-3-11-21-19(25)17-9-12-24(13-10-17)20-22-15(2)14-18(23-20)16-7-5-4-6-8-16/h3-8,14,17H,1,9-13H2,2H3,(H,21,25).
What are the key properties of 1-(4-methyl-6-phenylpyrimidin-2-yl)-N-prop-2-enylpiperidine-4-carboxamide?
1-(4-methyl-6-phenylpyrimidin-2-yl)-N-prop-2-enylpiperidine-4-carboxamide has a molecular weight of 336.44 g/mol, XLogP of 2.97, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methyl-6-phenylpyrimidin-2-yl)-N-prop-2-enylpiperidine-4-carboxamide is sourced from PubChem (CID 646087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).