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'}

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Related Compounds

Luf-5735
CID 11392960
L-375378
CID 154118
2-N-benzyl-4-N-butyl-6-methylpyrimidine-2,4-diamine
CID 659917
N-(4,6-diphenylpyrimidin-2-yl)-3-methylbutyramide
CID 11301995
Pentanoic acid (4,6-diphenylpyrimidin-2-yl)amide
CID 11450364
N-[5-(2,3-dimethylphenyl)-1,2,3,4-tetrahydro-1,6-naphthyridin-7-yl]acetamide
CID 146018719
1-{(E)-amino[(4-methylquinazolin-2-yl)amino]methylidene}-3-cyclohexylurea
CID 135526883
N2-benzyl-N4-cyclohexyl-6-methylpyrimidine-2,4-diamine
CID 697226
N-benzyl-4-methyl-6-piperidin-1-ylpyrimidin-2-amine
CID 950649
N-(2,6-diphenylpyrimidin-4-yl)acetamide
CID 11185362
N-(4,6-diphenylpyrimidin-2-yl)propionamide
CID 11278089
N-(4,6-diphenylpyrimidin-2-yl)-2-ethylbutyramide
CID 11290921

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).