N-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]-5-(2-cyanoethyl)pyridine-2-carboxamide

C24H24ClN3O3 — CID 159961387

IUPACN-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]-5-(2-cyanoethyl)pyridine-2-carboxamide
SMILESCc1cc(OCC(=O)CC23CC(NC(=O)c4ccc(CCC#N)cn4)(C2)C3)ccc1Cl
InChIInChI=1S/C24H24ClN3O3/c1-16-9-19(5-6-20(16)25)31-12-18(29)10-23-13-24(14-23,15-23)28-22(30)21-7-4-17(11-27-21)3-2-8-26/h4-7,9,11H,2-3,10,12-15H2,1H3,(H,28,30)
InChIKeyQMUDXZFTBLIWCX-UHFFFAOYSA-N
MW437.93 g/mol
LogP4.19
Rot. Bonds9

About N-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]-5-(2-cyanoethyl)pyridine-2-carboxamide

N-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]-5-(2-cyanoethyl)pyridine-2-carboxamide (PubChem CID 159961387) has the molecular formula C24H24ClN3O3 and a molecular weight of 437.93 g/mol. Its IUPAC name is N-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]-5-(2-cyanoethyl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]-5-(2-cyanoethyl)pyridine-2-carboxamide
PubChem CID159961387
Molecular FormulaC24H24ClN3O3
Molecular Weight437.93 g/mol
Exact Mass437.15
IUPAC NameN-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]-5-(2-cyanoethyl)pyridine-2-carboxamide
SMILESCc1cc(OCC(=O)CC23CC(NC(=O)c4ccc(CCC#N)cn4)(C2)C3)ccc1Cl
InChIInChI=1S/C24H24ClN3O3/c1-16-9-19(5-6-20(16)25)31-12-18(29)10-23-13-24(14-23,15-23)28-22(30)21-7-4-17(11-27-21)3-2-8-26/h4-7,9,11H,2-3,10,12-15H2,1H3,(H,28,30)
InChIKeyQMUDXZFTBLIWCX-UHFFFAOYSA-N
XLogP4.19
TPSA92.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.93
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(2-cyclopropylethyl)-N-[3-[3-(4-fluoro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]pyridine-2-carboxamide
CID 162017742
5-(2-cyclopropylethyl)-N-[3-[3-(3,4-difluorophenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]pyridine-2-carboxamide
CID 161006450
N-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]-1-pyridin-2-ylpyrazole-4-carboxamide
CID 162299186
N-[3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-5-phenylpyridine-2-carboxamide
CID 157221769
N-[3-[3-(4-chloro-3-fluorophenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]-5-[(E)-2-cyclopropylethenyl]pyridine-2-carboxamide
CID 159355547
2-(4-chloro-3-fluorophenoxy)-N-[3-[2-(2-ethyl-4-methyl-1,3-thiazol-5-yl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[2-(2-ethyl-1,3-thiazol-5-yl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[2-oxo-2-(2-propyl-1,3-thiazol-5-yl)ethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;5-(2-cyclopropylethyl)-N-[3-[3-(4-fluoro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]pyridine-2-carboxamide
CID 162017741
N-[3-[3-(4-chloro-3-fluorophenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]-5-(furan-2-yl)pyridine-2-carboxamide
CID 160858978
5-[3-[3-[3-(4-chloro-3-fluorophenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]-3-oxopropyl]pyridine-2-carbonitrile
CID 147841859
N-[3-[3-(4-chloro-3-fluorophenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide
CID 158708318
N-[4-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-1-bicyclo[2.1.1]hexanyl]pyridine-2-carboxamide
CID 158400664
1-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]-3-(1,2-oxazol-3-yl)propan-1-one
CID 157217072
N-[3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]pyrido[2,3-b]pyrazine-2-carboxamide
CID 160801845

Frequently Asked Questions

What is the IUPAC name of N-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]-5-(2-cyanoethyl)pyridine-2-carboxamide?
The IUPAC name of N-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]-5-(2-cyanoethyl)pyridine-2-carboxamide (CID 159961387) is N-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]-5-(2-cyanoethyl)pyridine-2-carboxamide.
What is the SMILES notation for N-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]-5-(2-cyanoethyl)pyridine-2-carboxamide?
The canonical SMILES for N-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]-5-(2-cyanoethyl)pyridine-2-carboxamide is Cc1cc(OCC(=O)CC23CC(NC(=O)c4ccc(CCC#N)cn4)(C2)C3)ccc1Cl.
What is the InChIKey of N-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]-5-(2-cyanoethyl)pyridine-2-carboxamide?
The InChIKey is QMUDXZFTBLIWCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24ClN3O3/c1-16-9-19(5-6-20(16)25)31-12-18(29)10-23-13-24(14-23,15-23)28-22(30)21-7-4-17(11-27-21)3-2-8-26/h4-7,9,11H,2-3,10,12-15H2,1H3,(H,28,30).
What are the key properties of N-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]-5-(2-cyanoethyl)pyridine-2-carboxamide?
N-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]-5-(2-cyanoethyl)pyridine-2-carboxamide has a molecular weight of 437.93 g/mol, XLogP of 4.19, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]-5-(2-cyanoethyl)pyridine-2-carboxamide is sourced from PubChem (CID 159961387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).