N-[(4-oxo-2-phenyl-3,5,6,7,8,9-hexahydrocyclohepta[d]pyrimidin-7-yl)methyl]cyclopentanecarboxamide

C22H27N3O2 — CID 146066311

IUPACN-[(4-oxo-2-phenyl-3,5,6,7,8,9-hexahydrocyclohepta[d]pyrimidin-7-yl)methyl]cyclopentanecarboxamide
SMILESO=C(NCC1CCc2nc(-c3ccccc3)[nH]c(=O)c2CC1)C1CCCC1
InChIInChI=1S/C22H27N3O2/c26-21(17-8-4-5-9-17)23-14-15-10-12-18-19(13-11-15)24-20(25-22(18)27)16-6-2-1-3-7-16/h1-3,6-7,15,17H,4-5,8-14H2,(H,23,26)(H,24,25,27)
InChIKeyGUYPRAJZGDPGKG-UHFFFAOYSA-N
MW365.48 g/mol
LogP3.24
Rot. Bonds4

About N-[(4-oxo-2-phenyl-3,5,6,7,8,9-hexahydrocyclohepta[d]pyrimidin-7-yl)methyl]cyclopentanecarboxamide

N-[(4-oxo-2-phenyl-3,5,6,7,8,9-hexahydrocyclohepta[d]pyrimidin-7-yl)methyl]cyclopentanecarboxamide (PubChem CID 146066311) has the molecular formula C22H27N3O2 and a molecular weight of 365.48 g/mol. Its IUPAC name is N-[(4-oxo-2-phenyl-3,5,6,7,8,9-hexahydrocyclohepta[d]pyrimidin-7-yl)methyl]cyclopentanecarboxamide.

Molecular Properties

Compound NameN-[(4-oxo-2-phenyl-3,5,6,7,8,9-hexahydrocyclohepta[d]pyrimidin-7-yl)methyl]cyclopentanecarboxamide
PubChem CID146066311
Molecular FormulaC22H27N3O2
Molecular Weight365.48 g/mol
Exact Mass365.21
IUPAC NameN-[(4-oxo-2-phenyl-3,5,6,7,8,9-hexahydrocyclohepta[d]pyrimidin-7-yl)methyl]cyclopentanecarboxamide
SMILESO=C(NCC1CCc2nc(-c3ccccc3)[nH]c(=O)c2CC1)C1CCCC1
InChIInChI=1S/C22H27N3O2/c26-21(17-8-4-5-9-17)23-14-15-10-12-18-19(13-11-15)24-20(25-22(18)27)16-6-2-1-3-7-16/h1-3,6-7,15,17H,4-5,8-14H2,(H,23,26)(H,24,25,27)
InChIKeyGUYPRAJZGDPGKG-UHFFFAOYSA-N
XLogP3.24
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.48
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(4-oxo-2-phenyl-3,5,6,7,8,9-hexahydrocyclohepta[d]pyrimidin-7-yl)methyl]cyclopentanecarboxamide?
The IUPAC name of N-[(4-oxo-2-phenyl-3,5,6,7,8,9-hexahydrocyclohepta[d]pyrimidin-7-yl)methyl]cyclopentanecarboxamide (CID 146066311) is N-[(4-oxo-2-phenyl-3,5,6,7,8,9-hexahydrocyclohepta[d]pyrimidin-7-yl)methyl]cyclopentanecarboxamide.
What is the SMILES notation for N-[(4-oxo-2-phenyl-3,5,6,7,8,9-hexahydrocyclohepta[d]pyrimidin-7-yl)methyl]cyclopentanecarboxamide?
The canonical SMILES for N-[(4-oxo-2-phenyl-3,5,6,7,8,9-hexahydrocyclohepta[d]pyrimidin-7-yl)methyl]cyclopentanecarboxamide is O=C(NCC1CCc2nc(-c3ccccc3)[nH]c(=O)c2CC1)C1CCCC1.
What is the InChIKey of N-[(4-oxo-2-phenyl-3,5,6,7,8,9-hexahydrocyclohepta[d]pyrimidin-7-yl)methyl]cyclopentanecarboxamide?
The InChIKey is GUYPRAJZGDPGKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O2/c26-21(17-8-4-5-9-17)23-14-15-10-12-18-19(13-11-15)24-20(25-22(18)27)16-6-2-1-3-7-16/h1-3,6-7,15,17H,4-5,8-14H2,(H,23,26)(H,24,25,27).
What are the key properties of N-[(4-oxo-2-phenyl-3,5,6,7,8,9-hexahydrocyclohepta[d]pyrimidin-7-yl)methyl]cyclopentanecarboxamide?
N-[(4-oxo-2-phenyl-3,5,6,7,8,9-hexahydrocyclohepta[d]pyrimidin-7-yl)methyl]cyclopentanecarboxamide has a molecular weight of 365.48 g/mol, XLogP of 3.24, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-oxo-2-phenyl-3,5,6,7,8,9-hexahydrocyclohepta[d]pyrimidin-7-yl)methyl]cyclopentanecarboxamide is sourced from PubChem (CID 146066311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).