N-methyl-2-phenyl-N-(pyrimidin-2-ylmethyl)cyclopentene-1-carboxamide

C18H19N3O — CID 166263118

IUPACN-methyl-2-phenyl-N-(pyrimidin-2-ylmethyl)cyclopentene-1-carboxamide
SMILESCN(Cc1ncccn1)C(=O)C1=C(c2ccccc2)CCC1
InChIInChI=1S/C18H19N3O/c1-21(13-17-19-11-6-12-20-17)18(22)16-10-5-9-15(16)14-7-3-2-4-8-14/h2-4,6-8,11-12H,5,9-10,13H2,1H3
InChIKeyFCACRELYXHNXMW-UHFFFAOYSA-N
MW293.37 g/mol
LogP3.07
Rot. Bonds4

About N-methyl-2-phenyl-N-(pyrimidin-2-ylmethyl)cyclopentene-1-carboxamide

N-methyl-2-phenyl-N-(pyrimidin-2-ylmethyl)cyclopentene-1-carboxamide (PubChem CID 166263118) has the molecular formula C18H19N3O and a molecular weight of 293.37 g/mol. Its IUPAC name is N-methyl-2-phenyl-N-(pyrimidin-2-ylmethyl)cyclopentene-1-carboxamide.

Molecular Properties

Compound NameN-methyl-2-phenyl-N-(pyrimidin-2-ylmethyl)cyclopentene-1-carboxamide
PubChem CID166263118
Molecular FormulaC18H19N3O
Molecular Weight293.37 g/mol
Exact Mass293.15
IUPAC NameN-methyl-2-phenyl-N-(pyrimidin-2-ylmethyl)cyclopentene-1-carboxamide
SMILESCN(Cc1ncccn1)C(=O)C1=C(c2ccccc2)CCC1
InChIInChI=1S/C18H19N3O/c1-21(13-17-19-11-6-12-20-17)18(22)16-10-5-9-15(16)14-7-3-2-4-8-14/h2-4,6-8,11-12H,5,9-10,13H2,1H3
InChIKeyFCACRELYXHNXMW-UHFFFAOYSA-N
XLogP3.07
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-phenyl-N-(pyrimidin-2-ylmethyl)cyclopentene-1-carboxamide?
The IUPAC name of N-methyl-2-phenyl-N-(pyrimidin-2-ylmethyl)cyclopentene-1-carboxamide (CID 166263118) is N-methyl-2-phenyl-N-(pyrimidin-2-ylmethyl)cyclopentene-1-carboxamide.
What is the SMILES notation for N-methyl-2-phenyl-N-(pyrimidin-2-ylmethyl)cyclopentene-1-carboxamide?
The canonical SMILES for N-methyl-2-phenyl-N-(pyrimidin-2-ylmethyl)cyclopentene-1-carboxamide is CN(Cc1ncccn1)C(=O)C1=C(c2ccccc2)CCC1.
What is the InChIKey of N-methyl-2-phenyl-N-(pyrimidin-2-ylmethyl)cyclopentene-1-carboxamide?
The InChIKey is FCACRELYXHNXMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O/c1-21(13-17-19-11-6-12-20-17)18(22)16-10-5-9-15(16)14-7-3-2-4-8-14/h2-4,6-8,11-12H,5,9-10,13H2,1H3.
What are the key properties of N-methyl-2-phenyl-N-(pyrimidin-2-ylmethyl)cyclopentene-1-carboxamide?
N-methyl-2-phenyl-N-(pyrimidin-2-ylmethyl)cyclopentene-1-carboxamide has a molecular weight of 293.37 g/mol, XLogP of 3.07, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-phenyl-N-(pyrimidin-2-ylmethyl)cyclopentene-1-carboxamide is sourced from PubChem (CID 166263118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).