N-(2,6-diphenylpyrimidin-4-yl)cyclopentanecarboxamide

C22H21N3O — CID 11462033

IUPACN-(2,6-diphenylpyrimidin-4-yl)cyclopentanecarboxamide
SMILESO=C(Nc1cc(-c2ccccc2)nc(-c2ccccc2)n1)C1CCCC1
InChIInChI=1S/C22H21N3O/c26-22(18-13-7-8-14-18)25-20-15-19(16-9-3-1-4-10-16)23-21(24-20)17-11-5-2-6-12-17/h1-6,9-12,15,18H,7-8,13-14H2,(H,23,24,25,26)
InChIKeyJIIIIMMXDNQSGZ-UHFFFAOYSA-N
MW343.43 g/mol
LogP4.94
Rot. Bonds4

About N-(2,6-diphenylpyrimidin-4-yl)cyclopentanecarboxamide

N-(2,6-diphenylpyrimidin-4-yl)cyclopentanecarboxamide (PubChem CID 11462033) has the molecular formula C22H21N3O and a molecular weight of 343.43 g/mol. Its IUPAC name is N-(2,6-diphenylpyrimidin-4-yl)cyclopentanecarboxamide.

Molecular Properties

Compound NameN-(2,6-diphenylpyrimidin-4-yl)cyclopentanecarboxamide
PubChem CID11462033
Molecular FormulaC22H21N3O
Molecular Weight343.43 g/mol
Exact Mass343.17
IUPAC NameN-(2,6-diphenylpyrimidin-4-yl)cyclopentanecarboxamide
SMILESO=C(Nc1cc(-c2ccccc2)nc(-c2ccccc2)n1)C1CCCC1
InChIInChI=1S/C22H21N3O/c26-22(18-13-7-8-14-18)25-20-15-19(16-9-3-1-4-10-16)23-21(24-20)17-11-5-2-6-12-17/h1-6,9-12,15,18H,7-8,13-14H2,(H,23,24,25,26)
InChIKeyJIIIIMMXDNQSGZ-UHFFFAOYSA-N
XLogP4.94
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Luf-5735
CID 11392960
4-Amino-2,6-diphenylpyrimidine
CID 619020
N-(4,6-diphenylpyrimidin-2-yl)-3-methylbutyramide
CID 11301995
N-(4,6-diphenylpyrimidin-2-yl)benzamide
CID 11314132
Pentanoic acid (4,6-diphenylpyrimidin-2-yl)amide
CID 11450364
N-(2,6-diphenylpyrimidin-4-yl)acetamide
CID 11185362
N-(2,6-diphenylpyrimidin-4-yl)benzamide
CID 11245073
N-(4,6-diphenylpyrimidin-2-yl)propionamide
CID 11278089
N-(4,6-diphenylpyrimidin-2-yl)-2-ethylbutyramide
CID 11290921
N-(2,6-diphenylpyrimidin-4-yl)isobutyramide
CID 11313151
N-(2,6-diphenylpyrimidin-4-yl)butyramide
CID 11359018
N-(2,6-diphenylpyrimidin-4-yl)-2-ethylbutyramide
CID 11371386

Frequently Asked Questions

What is the IUPAC name of N-(2,6-diphenylpyrimidin-4-yl)cyclopentanecarboxamide?
The IUPAC name of N-(2,6-diphenylpyrimidin-4-yl)cyclopentanecarboxamide (CID 11462033) is N-(2,6-diphenylpyrimidin-4-yl)cyclopentanecarboxamide.
What is the SMILES notation for N-(2,6-diphenylpyrimidin-4-yl)cyclopentanecarboxamide?
The canonical SMILES for N-(2,6-diphenylpyrimidin-4-yl)cyclopentanecarboxamide is O=C(Nc1cc(-c2ccccc2)nc(-c2ccccc2)n1)C1CCCC1.
What is the InChIKey of N-(2,6-diphenylpyrimidin-4-yl)cyclopentanecarboxamide?
The InChIKey is JIIIIMMXDNQSGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O/c26-22(18-13-7-8-14-18)25-20-15-19(16-9-3-1-4-10-16)23-21(24-20)17-11-5-2-6-12-17/h1-6,9-12,15,18H,7-8,13-14H2,(H,23,24,25,26).
What are the key properties of N-(2,6-diphenylpyrimidin-4-yl)cyclopentanecarboxamide?
N-(2,6-diphenylpyrimidin-4-yl)cyclopentanecarboxamide has a molecular weight of 343.43 g/mol, XLogP of 4.94, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-diphenylpyrimidin-4-yl)cyclopentanecarboxamide is sourced from PubChem (CID 11462033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).