N-[3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-5-phenylpyridine-2-carboxamide

C26H24ClN3O3 — CID 157221769

IUPACN-[3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-5-phenylpyridine-2-carboxamide
SMILESCc1cc(OCC(=O)NC23CC(NC(=O)c4ccc(-c5ccccc5)cn4)(C2)C3)ccc1Cl
InChIInChI=1S/C26H24ClN3O3/c1-17-11-20(8-9-21(17)27)33-13-23(31)29-25-14-26(15-25,16-25)30-24(32)22-10-7-19(12-28-22)18-5-3-2-4-6-18/h2-12H,13-16H2,1H3,(H,29,31)(H,30,32)
InChIKeyAHJNNNWGFKLLPN-UHFFFAOYSA-N
MW461.95 g/mol
LogP4.31
Rot. Bonds7

About N-[3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-5-phenylpyridine-2-carboxamide

N-[3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-5-phenylpyridine-2-carboxamide (PubChem CID 157221769) has the molecular formula C26H24ClN3O3 and a molecular weight of 461.95 g/mol. Its IUPAC name is N-[3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-5-phenylpyridine-2-carboxamide.

Molecular Properties

Compound NameN-[3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-5-phenylpyridine-2-carboxamide
PubChem CID157221769
Molecular FormulaC26H24ClN3O3
Molecular Weight461.95 g/mol
Exact Mass461.15
IUPAC NameN-[3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-5-phenylpyridine-2-carboxamide
SMILESCc1cc(OCC(=O)NC23CC(NC(=O)c4ccc(-c5ccccc5)cn4)(C2)C3)ccc1Cl
InChIInChI=1S/C26H24ClN3O3/c1-17-11-20(8-9-21(17)27)33-13-23(31)29-25-14-26(15-25,16-25)30-24(32)22-10-7-19(12-28-22)18-5-3-2-4-6-18/h2-12H,13-16H2,1H3,(H,29,31)(H,30,32)
InChIKeyAHJNNNWGFKLLPN-UHFFFAOYSA-N
XLogP4.31
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.95
LogP ≤ 54.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-5-phenylpyridine-2-carboxamide with MolForge

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Related Compounds

N-[4-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-1-bicyclo[2.1.1]hexanyl]pyridine-2-carboxamide
CID 158400664
N-[3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]pyrido[2,3-b]pyrazine-2-carboxamide
CID 160801845
N-[3-(1,3-benzoxazol-2-ylamino)-1-bicyclo[1.1.1]pentanyl]-2-(4-chloro-3-methylphenoxy)acetamide
CID 165071544
1-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]cyclopropane-1-carboxylic acid
CID 65450765
2-(4-chloro-3-methylphenoxy)-N-[3-[(6-cyclopropylpyrazin-2-yl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide
CID 160790461
(3R)-N-[3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 163542605
N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-1,5-dimethylpyrazole-3-carboxamide
CID 142586187
N-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]-5-(2-cyanoethyl)pyridine-2-carboxamide
CID 159961387
2-(4-chloro-3-methylphenoxy)-N'-[2-(4-chloro-3-methylphenoxy)acetyl]acetohydrazide
CID 3554706
2-[1-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]cyclobutyl]acetic acid
CID 79844652
3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-N-(2-pyridin-4-ylethyl)bicyclo[1.1.1]pentane-1-carboxamide
CID 159517030
2-(4-chloro-3-methylphenoxy)-N-[3-[(6-morpholin-4-ylpyrazin-2-yl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide
CID 165016879

Frequently Asked Questions

What is the IUPAC name of N-[3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-5-phenylpyridine-2-carboxamide?
The IUPAC name of N-[3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-5-phenylpyridine-2-carboxamide (CID 157221769) is N-[3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-5-phenylpyridine-2-carboxamide.
What is the SMILES notation for N-[3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-5-phenylpyridine-2-carboxamide?
The canonical SMILES for N-[3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-5-phenylpyridine-2-carboxamide is Cc1cc(OCC(=O)NC23CC(NC(=O)c4ccc(-c5ccccc5)cn4)(C2)C3)ccc1Cl.
What is the InChIKey of N-[3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-5-phenylpyridine-2-carboxamide?
The InChIKey is AHJNNNWGFKLLPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24ClN3O3/c1-17-11-20(8-9-21(17)27)33-13-23(31)29-25-14-26(15-25,16-25)30-24(32)22-10-7-19(12-28-22)18-5-3-2-4-6-18/h2-12H,13-16H2,1H3,(H,29,31)(H,30,32).
What are the key properties of N-[3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-5-phenylpyridine-2-carboxamide?
N-[3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-5-phenylpyridine-2-carboxamide has a molecular weight of 461.95 g/mol, XLogP of 4.31, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-5-phenylpyridine-2-carboxamide is sourced from PubChem (CID 157221769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).