N-[4-(5-chloropyrimidin-2-yl)oxycyclohexyl]cyclohexanecarboxamide

C17H24ClN3O2 — CID 90633658

IUPACN-[4-(5-chloropyrimidin-2-yl)oxycyclohexyl]cyclohexanecarboxamide
SMILESO=C(NC1CCC(Oc2ncc(Cl)cn2)CC1)C1CCCCC1
InChIInChI=1S/C17H24ClN3O2/c18-13-10-19-17(20-11-13)23-15-8-6-14(7-9-15)21-16(22)12-4-2-1-3-5-12/h10-12,14-15H,1-9H2,(H,21,22)
InChIKeyFTEHHQDWUSXSRS-UHFFFAOYSA-N
MW337.85 g/mol
LogP3.52
Rot. Bonds4

About N-[4-(5-chloropyrimidin-2-yl)oxycyclohexyl]cyclohexanecarboxamide

N-[4-(5-chloropyrimidin-2-yl)oxycyclohexyl]cyclohexanecarboxamide (PubChem CID 90633658) has the molecular formula C17H24ClN3O2 and a molecular weight of 337.85 g/mol. Its IUPAC name is N-[4-(5-chloropyrimidin-2-yl)oxycyclohexyl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[4-(5-chloropyrimidin-2-yl)oxycyclohexyl]cyclohexanecarboxamide
PubChem CID90633658
Molecular FormulaC17H24ClN3O2
Molecular Weight337.85 g/mol
Exact Mass337.16
IUPAC NameN-[4-(5-chloropyrimidin-2-yl)oxycyclohexyl]cyclohexanecarboxamide
SMILESO=C(NC1CCC(Oc2ncc(Cl)cn2)CC1)C1CCCCC1
InChIInChI=1S/C17H24ClN3O2/c18-13-10-19-17(20-11-13)23-15-8-6-14(7-9-15)21-16(22)12-4-2-1-3-5-12/h10-12,14-15H,1-9H2,(H,21,22)
InChIKeyFTEHHQDWUSXSRS-UHFFFAOYSA-N
XLogP3.52
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.85
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[4-(5-chloropyrimidin-2-yl)oxycyclohexyl]cyclohexanecarboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4-pyrimidin-2-yloxycyclohexyl)cyclopentanecarboxamide
CID 90633226
N-[4-(5-chloropyrimidin-2-yl)oxycyclohexyl]benzamide
CID 90633673
1-[4-(5-chloropyrimidin-2-yl)oxycyclohexyl]-3-phenylurea
CID 90633954
5-chloro-2-cyclobutyloxypyrimidine
CID 126953902
5-chloro-N-[4-(5-chloropyrimidin-2-yl)oxycyclohexyl]thiophene-2-carboxamide
CID 90633833
2-(4-chlorophenoxy)-N-[4-(5-chloropyrimidin-2-yl)oxycyclohexyl]acetamide
CID 90633733
N-[4-(5-chloropyrimidin-2-yl)oxycyclohexyl]-2-fluorobenzamide
CID 90633695
N-[4-(5-chloropyrimidin-2-yl)oxycyclohexyl]-3,4-difluorobenzamide
CID 90633706
N-cyclopropylcycloheptanecarboxamide
CID 62778853
N-cycloheptylcycloheptanecarboxamide
CID 129091005
N-cyclopropylcyclohexanecarboxamide
CID 3412875
N-cyclodecylcyclododecanecarboxamide
CID 135182352

Frequently Asked Questions

What is the IUPAC name of N-[4-(5-chloropyrimidin-2-yl)oxycyclohexyl]cyclohexanecarboxamide?
The IUPAC name of N-[4-(5-chloropyrimidin-2-yl)oxycyclohexyl]cyclohexanecarboxamide (CID 90633658) is N-[4-(5-chloropyrimidin-2-yl)oxycyclohexyl]cyclohexanecarboxamide.
What is the SMILES notation for N-[4-(5-chloropyrimidin-2-yl)oxycyclohexyl]cyclohexanecarboxamide?
The canonical SMILES for N-[4-(5-chloropyrimidin-2-yl)oxycyclohexyl]cyclohexanecarboxamide is O=C(NC1CCC(Oc2ncc(Cl)cn2)CC1)C1CCCCC1.
What is the InChIKey of N-[4-(5-chloropyrimidin-2-yl)oxycyclohexyl]cyclohexanecarboxamide?
The InChIKey is FTEHHQDWUSXSRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24ClN3O2/c18-13-10-19-17(20-11-13)23-15-8-6-14(7-9-15)21-16(22)12-4-2-1-3-5-12/h10-12,14-15H,1-9H2,(H,21,22).
What are the key properties of N-[4-(5-chloropyrimidin-2-yl)oxycyclohexyl]cyclohexanecarboxamide?
N-[4-(5-chloropyrimidin-2-yl)oxycyclohexyl]cyclohexanecarboxamide has a molecular weight of 337.85 g/mol, XLogP of 3.52, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(5-chloropyrimidin-2-yl)oxycyclohexyl]cyclohexanecarboxamide is sourced from PubChem (CID 90633658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).