N-(2-phenylpyrimidin-5-yl)cyclopentanecarboxamide

C16H17N3O — CID 27692572

IUPACN-(2-phenylpyrimidin-5-yl)cyclopentanecarboxamide
SMILESO=C(Nc1cnc(-c2ccccc2)nc1)C1CCCC1
InChIInChI=1S/C16H17N3O/c20-16(13-8-4-5-9-13)19-14-10-17-15(18-11-14)12-6-2-1-3-7-12/h1-3,6-7,10-11,13H,4-5,8-9H2,(H,19,20)
InChIKeyPIRJZSGLZIYNNA-UHFFFAOYSA-N
MW267.33 g/mol
LogP3.27
Rot. Bonds3

About N-(2-phenylpyrimidin-5-yl)cyclopentanecarboxamide

N-(2-phenylpyrimidin-5-yl)cyclopentanecarboxamide (PubChem CID 27692572) has the molecular formula C16H17N3O and a molecular weight of 267.33 g/mol. Its IUPAC name is N-(2-phenylpyrimidin-5-yl)cyclopentanecarboxamide.

Molecular Properties

Compound NameN-(2-phenylpyrimidin-5-yl)cyclopentanecarboxamide
PubChem CID27692572
Molecular FormulaC16H17N3O
Molecular Weight267.33 g/mol
Exact Mass267.14
IUPAC NameN-(2-phenylpyrimidin-5-yl)cyclopentanecarboxamide
SMILESO=C(Nc1cnc(-c2ccccc2)nc1)C1CCCC1
InChIInChI=1S/C16H17N3O/c20-16(13-8-4-5-9-13)19-14-10-17-15(18-11-14)12-6-2-1-3-7-12/h1-3,6-7,10-11,13H,4-5,8-9H2,(H,19,20)
InChIKeyPIRJZSGLZIYNNA-UHFFFAOYSA-N
XLogP3.27
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-phenylpyrimidin-5-yl)cyclopentanecarboxamide?
The IUPAC name of N-(2-phenylpyrimidin-5-yl)cyclopentanecarboxamide (CID 27692572) is N-(2-phenylpyrimidin-5-yl)cyclopentanecarboxamide.
What is the SMILES notation for N-(2-phenylpyrimidin-5-yl)cyclopentanecarboxamide?
The canonical SMILES for N-(2-phenylpyrimidin-5-yl)cyclopentanecarboxamide is O=C(Nc1cnc(-c2ccccc2)nc1)C1CCCC1.
What is the InChIKey of N-(2-phenylpyrimidin-5-yl)cyclopentanecarboxamide?
The InChIKey is PIRJZSGLZIYNNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O/c20-16(13-8-4-5-9-13)19-14-10-17-15(18-11-14)12-6-2-1-3-7-12/h1-3,6-7,10-11,13H,4-5,8-9H2,(H,19,20).
What are the key properties of N-(2-phenylpyrimidin-5-yl)cyclopentanecarboxamide?
N-(2-phenylpyrimidin-5-yl)cyclopentanecarboxamide has a molecular weight of 267.33 g/mol, XLogP of 3.27, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenylpyrimidin-5-yl)cyclopentanecarboxamide is sourced from PubChem (CID 27692572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).