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

C25H33N3O2 — CID 15461957

IUPACN-[2-[3-(2-methoxyphenyl)pyrrolidin-1-yl]ethyl]-N-pyridin-2-ylcyclohexanecarboxamide
SMILESCOc1ccccc1C1CCN(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
InChIKeyATWPRNREQOFDAP-UHFFFAOYSA-N
MW407.56 g/mol
LogP4.49
Rot. Bonds7

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

N-[2-[3-(2-methoxyphenyl)pyrrolidin-1-yl]ethyl]-N-pyridin-2-ylcyclohexanecarboxamide (PubChem CID 15461957) has the molecular formula C25H33N3O2 and a molecular weight of 407.56 g/mol. Its IUPAC name is N-[2-[3-(2-methoxyphenyl)pyrrolidin-1-yl]ethyl]-N-pyridin-2-ylcyclohexanecarboxamide.

Molecular Properties

Compound NameN-[2-[3-(2-methoxyphenyl)pyrrolidin-1-yl]ethyl]-N-pyridin-2-ylcyclohexanecarboxamide
PubChem CID15461957
Molecular FormulaC25H33N3O2
Molecular Weight407.56 g/mol
Exact Mass407.26
IUPAC NameN-[2-[3-(2-methoxyphenyl)pyrrolidin-1-yl]ethyl]-N-pyridin-2-ylcyclohexanecarboxamide
SMILESCOc1ccccc1C1CCN(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
InChIKeyATWPRNREQOFDAP-UHFFFAOYSA-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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Frequently Asked Questions

What is the IUPAC name of N-[2-[3-(2-methoxyphenyl)pyrrolidin-1-yl]ethyl]-N-pyridin-2-ylcyclohexanecarboxamide?
The IUPAC name of N-[2-[3-(2-methoxyphenyl)pyrrolidin-1-yl]ethyl]-N-pyridin-2-ylcyclohexanecarboxamide (CID 15461957) is N-[2-[3-(2-methoxyphenyl)pyrrolidin-1-yl]ethyl]-N-pyridin-2-ylcyclohexanecarboxamide.
What is the SMILES notation for N-[2-[3-(2-methoxyphenyl)pyrrolidin-1-yl]ethyl]-N-pyridin-2-ylcyclohexanecarboxamide?
The canonical SMILES for N-[2-[3-(2-methoxyphenyl)pyrrolidin-1-yl]ethyl]-N-pyridin-2-ylcyclohexanecarboxamide is COc1ccccc1C1CCN(CCN(C(=O)C2CCCCC2)c2ccccn2)C1.
What is the InChIKey of N-[2-[3-(2-methoxyphenyl)pyrrolidin-1-yl]ethyl]-N-pyridin-2-ylcyclohexanecarboxamide?
The InChIKey is ATWPRNREQOFDAP-UHFFFAOYSA-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.
What are the key properties of N-[2-[3-(2-methoxyphenyl)pyrrolidin-1-yl]ethyl]-N-pyridin-2-ylcyclohexanecarboxamide?
N-[2-[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-[3-(2-methoxyphenyl)pyrrolidin-1-yl]ethyl]-N-pyridin-2-ylcyclohexanecarboxamide is sourced from PubChem (CID 15461957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).