3-[2-(azetidin-1-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-N-phenylbenzamide

C23H22N4O — CID 165396939

IUPAC3-[2-(azetidin-1-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-N-phenylbenzamide
SMILESO=C(Nc1ccccc1)c1cccc(-c2nc(N3CCC3)nc3c2CCC3)c1
InChIInChI=1S/C23H22N4O/c28-22(24-18-9-2-1-3-10-18)17-8-4-7-16(15-17)21-19-11-5-12-20(19)25-23(26-21)27-13-6-14-27/h1-4,7-10,15H,5-6,11-14H2,(H,24,28)
InChIKeySJUARDDLEPLWLO-UHFFFAOYSA-N
MW370.46 g/mol
LogP4.09
Rot. Bonds4

About 3-[2-(azetidin-1-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-N-phenylbenzamide

3-[2-(azetidin-1-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-N-phenylbenzamide (PubChem CID 165396939) has the molecular formula C23H22N4O and a molecular weight of 370.46 g/mol. Its IUPAC name is 3-[2-(azetidin-1-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-N-phenylbenzamide.

Molecular Properties

Compound Name3-[2-(azetidin-1-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-N-phenylbenzamide
PubChem CID165396939
Molecular FormulaC23H22N4O
Molecular Weight370.46 g/mol
Exact Mass370.18
IUPAC Name3-[2-(azetidin-1-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-N-phenylbenzamide
SMILESO=C(Nc1ccccc1)c1cccc(-c2nc(N3CCC3)nc3c2CCC3)c1
InChIInChI=1S/C23H22N4O/c28-22(24-18-9-2-1-3-10-18)17-8-4-7-16(15-17)21-19-11-5-12-20(19)25-23(26-21)27-13-6-14-27/h1-4,7-10,15H,5-6,11-14H2,(H,24,28)
InChIKeySJUARDDLEPLWLO-UHFFFAOYSA-N
XLogP4.09
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.46
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-phenyl-2-piperidin-1-yl-5,6,7,8-tetrahydroquinazoline
CID 17035762
[3-[2-(azetidin-1-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]phenyl]methanamine
CID 165396314
N-[[3-[2-(azetidin-1-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]phenyl]methyl]-2-hydroxypropanamide
CID 165397095
2-(azetidin-1-yl)-4-[3-(piperidin-1-ylmethyl)phenyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidine
CID 165396343
[3-[3-[2-(azetidin-1-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]phenyl]cyclobutyl]methanol
CID 165397416
2-[5-[2-(azetidin-1-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-2,3-dihydro-1H-inden-2-yl]acetic acid
CID 167207278
N-[3-[2-[(2S,3R)-3-hydroxy-2-methylazetidin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]phenyl]acetamide
CID 165397469
2-[3-[2-(3-fluoroazetidin-1-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]phenyl]cyclopropane-1-carboxylic acid
CID 167207076
N-(4-chlorophenyl)-3-(2-pyrrolidin-1-ylpyrimidin-5-yl)benzamide
CID 46382606
6-[2-(azetidin-1-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]pyridine-3-carboxamide
CID 167207352
N-(4-anilinophenyl)-3-pyrrolidin-1-ylbenzamide
CID 168515887
N-phenyl-4-(2-pyrrolidin-1-ylpyrimidin-5-yl)benzamide
CID 53108527

Frequently Asked Questions

What is the IUPAC name of 3-[2-(azetidin-1-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-N-phenylbenzamide?
The IUPAC name of 3-[2-(azetidin-1-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-N-phenylbenzamide (CID 165396939) is 3-[2-(azetidin-1-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-N-phenylbenzamide.
What is the SMILES notation for 3-[2-(azetidin-1-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-N-phenylbenzamide?
The canonical SMILES for 3-[2-(azetidin-1-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-N-phenylbenzamide is O=C(Nc1ccccc1)c1cccc(-c2nc(N3CCC3)nc3c2CCC3)c1.
What is the InChIKey of 3-[2-(azetidin-1-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-N-phenylbenzamide?
The InChIKey is SJUARDDLEPLWLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O/c28-22(24-18-9-2-1-3-10-18)17-8-4-7-16(15-17)21-19-11-5-12-20(19)25-23(26-21)27-13-6-14-27/h1-4,7-10,15H,5-6,11-14H2,(H,24,28).
What are the key properties of 3-[2-(azetidin-1-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-N-phenylbenzamide?
3-[2-(azetidin-1-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-N-phenylbenzamide has a molecular weight of 370.46 g/mol, XLogP of 4.09, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(azetidin-1-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-N-phenylbenzamide is sourced from PubChem (CID 165396939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).