N-[2-[(3R)-3-(2-methoxyphenyl)pyrrolidin-1-yl]ethyl]-N-pyridin-2-ylcyclohexanecarboxamide

C25H33N3O2 — CID 67628614

IUPACN-[2-[(3R)-3-(2-methoxyphenyl)pyrrolidin-1-yl]ethyl]-N-pyridin-2-ylcyclohexanecarboxamide
SMILESCOc1ccccc1[C@H]1CCN(CCN(C(=O)C2CCCCC2)c2ccccn2)C1
InChIInChI=1S/C25H33N3O2/c1-30-23-12-6-5-11-22(23)21-14-16-27(19-21)17-18-28(24-13-7-8-15-26-24)25(29)20-9-3-2-4-10-20/h5-8,11-13,15,20-21H,2-4,9-10,14,16-19H2,1H3/t21-/m0/s1
InChIKeyATWPRNREQOFDAP-NRFANRHFSA-N
MW407.56 g/mol
LogP4.49
Rot. Bonds7

About N-[2-[(3R)-3-(2-methoxyphenyl)pyrrolidin-1-yl]ethyl]-N-pyridin-2-ylcyclohexanecarboxamide

N-[2-[(3R)-3-(2-methoxyphenyl)pyrrolidin-1-yl]ethyl]-N-pyridin-2-ylcyclohexanecarboxamide (PubChem CID 67628614) has the molecular formula C25H33N3O2 and a molecular weight of 407.56 g/mol. Its IUPAC name is N-[2-[(3R)-3-(2-methoxyphenyl)pyrrolidin-1-yl]ethyl]-N-pyridin-2-ylcyclohexanecarboxamide.

Molecular Properties

Compound NameN-[2-[(3R)-3-(2-methoxyphenyl)pyrrolidin-1-yl]ethyl]-N-pyridin-2-ylcyclohexanecarboxamide
PubChem CID67628614
Molecular FormulaC25H33N3O2
Molecular Weight407.56 g/mol
Exact Mass407.26
IUPAC NameN-[2-[(3R)-3-(2-methoxyphenyl)pyrrolidin-1-yl]ethyl]-N-pyridin-2-ylcyclohexanecarboxamide
SMILESCOc1ccccc1[C@H]1CCN(CCN(C(=O)C2CCCCC2)c2ccccn2)C1
InChIInChI=1S/C25H33N3O2/c1-30-23-12-6-5-11-22(23)21-14-16-27(19-21)17-18-28(24-13-7-8-15-26-24)25(29)20-9-3-2-4-10-20/h5-8,11-13,15,20-21H,2-4,9-10,14,16-19H2,1H3/t21-/m0/s1
InChIKeyATWPRNREQOFDAP-NRFANRHFSA-N
XLogP4.49
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.56
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[3-(2-methoxyphenyl)pyrrolidin-1-yl]ethyl]-N-pyridin-2-ylcyclohexanecarboxamide
CID 15461957
N-[2-(3-naphthalen-1-ylpyrrolidin-1-yl)ethyl]-N-pyridin-2-ylcyclohexanecarboxamide
CID 70341261
N-[2-[4-(2-methoxyphenyl)piperidin-1-yl]ethyl]-N-pyridin-2-yl-2-pyrrolidin-1-ylacetamide
CID 139834877
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
4-methoxy-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-N-pyridin-2-ylcyclohexane-1-carboxamide
CID 10623523
N-[2-[4-(5-fluoro-1H-indol-3-yl)piperidin-1-yl]ethyl]-N-pyridin-2-ylcyclohexanecarboxamide
CID 70339130
N-[2-[4-[4-(butanoylamino)-2-methoxyphenyl]piperazin-1-yl]ethyl]-N-pyridin-2-ylcyclohexanecarboxamide
CID 70238622
[2-[4-[2-[cyclohexanecarbonyl(pyridin-2-yl)amino]ethyl]piperazin-1-yl]phenyl] sulfite
CID 10344749
N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-N-pyridin-2-ylcyclohexanecarboxamide
CID 23290924
N-(6-iodo-2-pyridinyl)-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]cyclohexanecarboxamide
CID 10325198
4-[3-(2-methoxyphenyl)pyrrolidin-1-yl]butanoic acid
CID 119137597

Frequently Asked Questions

What is the IUPAC name of N-[2-[(3R)-3-(2-methoxyphenyl)pyrrolidin-1-yl]ethyl]-N-pyridin-2-ylcyclohexanecarboxamide?
The IUPAC name of N-[2-[(3R)-3-(2-methoxyphenyl)pyrrolidin-1-yl]ethyl]-N-pyridin-2-ylcyclohexanecarboxamide (CID 67628614) is N-[2-[(3R)-3-(2-methoxyphenyl)pyrrolidin-1-yl]ethyl]-N-pyridin-2-ylcyclohexanecarboxamide.
What is the SMILES notation for N-[2-[(3R)-3-(2-methoxyphenyl)pyrrolidin-1-yl]ethyl]-N-pyridin-2-ylcyclohexanecarboxamide?
The canonical SMILES for N-[2-[(3R)-3-(2-methoxyphenyl)pyrrolidin-1-yl]ethyl]-N-pyridin-2-ylcyclohexanecarboxamide is COc1ccccc1[C@H]1CCN(CCN(C(=O)C2CCCCC2)c2ccccn2)C1.
What is the InChIKey of N-[2-[(3R)-3-(2-methoxyphenyl)pyrrolidin-1-yl]ethyl]-N-pyridin-2-ylcyclohexanecarboxamide?
The InChIKey is ATWPRNREQOFDAP-NRFANRHFSA-N. The full InChI is InChI=1S/C25H33N3O2/c1-30-23-12-6-5-11-22(23)21-14-16-27(19-21)17-18-28(24-13-7-8-15-26-24)25(29)20-9-3-2-4-10-20/h5-8,11-13,15,20-21H,2-4,9-10,14,16-19H2,1H3/t21-/m0/s1.
What are the key properties of N-[2-[(3R)-3-(2-methoxyphenyl)pyrrolidin-1-yl]ethyl]-N-pyridin-2-ylcyclohexanecarboxamide?
N-[2-[(3R)-3-(2-methoxyphenyl)pyrrolidin-1-yl]ethyl]-N-pyridin-2-ylcyclohexanecarboxamide has a molecular weight of 407.56 g/mol, XLogP of 4.49, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3R)-3-(2-methoxyphenyl)pyrrolidin-1-yl]ethyl]-N-pyridin-2-ylcyclohexanecarboxamide is sourced from PubChem (CID 67628614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).