N-[2-(3-naphthalen-1-ylpyrrolidin-1-yl)ethyl]-N-pyridin-2-ylcyclohexanecarboxamide

C28H33N3O — CID 70341261

IUPACN-[2-(3-naphthalen-1-ylpyrrolidin-1-yl)ethyl]-N-pyridin-2-ylcyclohexanecarboxamide
SMILESO=C(C1CCCCC1)N(CCN1CCC(c2cccc3ccccc23)C1)c1ccccn1
InChIInChI=1S/C28H33N3O/c32-28(23-10-2-1-3-11-23)31(27-15-6-7-17-29-27)20-19-30-18-16-24(21-30)26-14-8-12-22-9-4-5-13-25(22)26/h4-9,12-15,17,23-24H,1-3,10-11,16,18-21H2
InChIKeyWONKPEXGCNURAQ-UHFFFAOYSA-N
MW427.59 g/mol
LogP5.64
Rot. Bonds6

About N-[2-(3-naphthalen-1-ylpyrrolidin-1-yl)ethyl]-N-pyridin-2-ylcyclohexanecarboxamide

N-[2-(3-naphthalen-1-ylpyrrolidin-1-yl)ethyl]-N-pyridin-2-ylcyclohexanecarboxamide (PubChem CID 70341261) has the molecular formula C28H33N3O and a molecular weight of 427.59 g/mol. Its IUPAC name is N-[2-(3-naphthalen-1-ylpyrrolidin-1-yl)ethyl]-N-pyridin-2-ylcyclohexanecarboxamide.

Molecular Properties

Compound NameN-[2-(3-naphthalen-1-ylpyrrolidin-1-yl)ethyl]-N-pyridin-2-ylcyclohexanecarboxamide
PubChem CID70341261
Molecular FormulaC28H33N3O
Molecular Weight427.59 g/mol
Exact Mass427.26
IUPAC NameN-[2-(3-naphthalen-1-ylpyrrolidin-1-yl)ethyl]-N-pyridin-2-ylcyclohexanecarboxamide
SMILESO=C(C1CCCCC1)N(CCN1CCC(c2cccc3ccccc23)C1)c1ccccn1
InChIInChI=1S/C28H33N3O/c32-28(23-10-2-1-3-11-23)31(27-15-6-7-17-29-27)20-19-30-18-16-24(21-30)26-14-8-12-22-9-4-5-13-25(22)26/h4-9,12-15,17,23-24H,1-3,10-11,16,18-21H2
InChIKeyWONKPEXGCNURAQ-UHFFFAOYSA-N
XLogP5.64
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.59
LogP ≤ 55.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[3-(2-methoxyphenyl)pyrrolidin-1-yl]ethyl]-N-pyridin-2-ylcyclohexanecarboxamide
CID 15461957
N-[2-[(3R)-3-(2-methoxyphenyl)pyrrolidin-1-yl]ethyl]-N-pyridin-2-ylcyclohexanecarboxamide
CID 67628614
N-[2-[(3R)-3-naphthalen-2-ylpyrrolidin-1-yl]ethyl]-N-pyridin-2-ylcyclohexanecarboxamide
CID 15461956
N-(2-piperazin-1-ylethyl)-N-pyridin-2-ylcyclohexanecarboxamide
CID 23170136
N-[2-[4-(5-fluoro-1H-indol-3-yl)piperidin-1-yl]ethyl]-N-pyridin-2-ylcyclohexanecarboxamide
CID 70339130
N-[2-[4-(2-methoxyphenyl)piperidin-1-yl]ethyl]-N-pyridin-2-yl-2-pyrrolidin-1-ylacetamide
CID 139834877
[2-[4-[2-[cyclohexanecarbonyl(pyridin-2-yl)amino]ethyl]piperazin-1-yl]phenyl] sulfite
CID 10344749
N-[2-[4-[4-(butanoylamino)-2-methoxyphenyl]piperazin-1-yl]ethyl]-N-pyridin-2-ylcyclohexanecarboxamide
CID 70238622
4-((18F)fluoromethyl)-N-[2-[4-(2-hydroxyphenyl)piperazin-1-yl]ethyl]-N-pyridin-2-ylcyclohexane-1-carboxamide
CID 71506900
4-methoxy-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-N-pyridin-2-ylcyclohexane-1-carboxamide
CID 10623523
N-(6-iodo-2-pyridinyl)-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]cyclohexanecarboxamide
CID 10325198
N-[2-[2-(2,3-dihydro-1,4-benzodioxin-3-yl)ethylamino]ethyl]-N-pyridin-2-ylcyclohexanecarboxamide
CID 67708219

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-naphthalen-1-ylpyrrolidin-1-yl)ethyl]-N-pyridin-2-ylcyclohexanecarboxamide?
The IUPAC name of N-[2-(3-naphthalen-1-ylpyrrolidin-1-yl)ethyl]-N-pyridin-2-ylcyclohexanecarboxamide (CID 70341261) is N-[2-(3-naphthalen-1-ylpyrrolidin-1-yl)ethyl]-N-pyridin-2-ylcyclohexanecarboxamide.
What is the SMILES notation for N-[2-(3-naphthalen-1-ylpyrrolidin-1-yl)ethyl]-N-pyridin-2-ylcyclohexanecarboxamide?
The canonical SMILES for N-[2-(3-naphthalen-1-ylpyrrolidin-1-yl)ethyl]-N-pyridin-2-ylcyclohexanecarboxamide is O=C(C1CCCCC1)N(CCN1CCC(c2cccc3ccccc23)C1)c1ccccn1.
What is the InChIKey of N-[2-(3-naphthalen-1-ylpyrrolidin-1-yl)ethyl]-N-pyridin-2-ylcyclohexanecarboxamide?
The InChIKey is WONKPEXGCNURAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H33N3O/c32-28(23-10-2-1-3-11-23)31(27-15-6-7-17-29-27)20-19-30-18-16-24(21-30)26-14-8-12-22-9-4-5-13-25(22)26/h4-9,12-15,17,23-24H,1-3,10-11,16,18-21H2.
What are the key properties of N-[2-(3-naphthalen-1-ylpyrrolidin-1-yl)ethyl]-N-pyridin-2-ylcyclohexanecarboxamide?
N-[2-(3-naphthalen-1-ylpyrrolidin-1-yl)ethyl]-N-pyridin-2-ylcyclohexanecarboxamide has a molecular weight of 427.59 g/mol, XLogP of 5.64, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-naphthalen-1-ylpyrrolidin-1-yl)ethyl]-N-pyridin-2-ylcyclohexanecarboxamide is sourced from PubChem (CID 70341261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).