N-benzyl-N-[4-[2-oxo-2-(pyridin-3-ylmethylamino)ethyl]phenyl]cyclopentanecarboxamide

C27H29N3O2 — CID 46046086

IUPACN-benzyl-N-[4-[2-oxo-2-(pyridin-3-ylmethylamino)ethyl]phenyl]cyclopentanecarboxamide
SMILESO=C(Cc1ccc(N(Cc2ccccc2)C(=O)C2CCCC2)cc1)NCc1cccnc1
InChIInChI=1S/C27H29N3O2/c31-26(29-19-23-9-6-16-28-18-23)17-21-12-14-25(15-13-21)30(20-22-7-2-1-3-8-22)27(32)24-10-4-5-11-24/h1-3,6-9,12-16,18,24H,4-5,10-11,17,19-20H2,(H,29,31)
InChIKeyOWOIKYAHHOEOJJ-UHFFFAOYSA-N
MW427.55 g/mol
LogP4.66
Rot. Bonds8

About N-benzyl-N-[4-[2-oxo-2-(pyridin-3-ylmethylamino)ethyl]phenyl]cyclopentanecarboxamide

N-benzyl-N-[4-[2-oxo-2-(pyridin-3-ylmethylamino)ethyl]phenyl]cyclopentanecarboxamide (PubChem CID 46046086) has the molecular formula C27H29N3O2 and a molecular weight of 427.55 g/mol. Its IUPAC name is N-benzyl-N-[4-[2-oxo-2-(pyridin-3-ylmethylamino)ethyl]phenyl]cyclopentanecarboxamide.

Molecular Properties

Compound NameN-benzyl-N-[4-[2-oxo-2-(pyridin-3-ylmethylamino)ethyl]phenyl]cyclopentanecarboxamide
PubChem CID46046086
Molecular FormulaC27H29N3O2
Molecular Weight427.55 g/mol
Exact Mass427.23
IUPAC NameN-benzyl-N-[4-[2-oxo-2-(pyridin-3-ylmethylamino)ethyl]phenyl]cyclopentanecarboxamide
SMILESO=C(Cc1ccc(N(Cc2ccccc2)C(=O)C2CCCC2)cc1)NCc1cccnc1
InChIInChI=1S/C27H29N3O2/c31-26(29-19-23-9-6-16-28-18-23)17-21-12-14-25(15-13-21)30(20-22-7-2-1-3-8-22)27(32)24-10-4-5-11-24/h1-3,6-9,12-16,18,24H,4-5,10-11,17,19-20H2,(H,29,31)
InChIKeyOWOIKYAHHOEOJJ-UHFFFAOYSA-N
XLogP4.66
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.55
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-[2-(benzylamino)-2-oxoethyl]phenyl]-N-[(2-methylphenyl)methyl]cyclopentanecarboxamide
CID 46045707
N-(4-chlorophenyl)-N-(pyridin-3-ylmethyl)cyclopentanecarboxamide
CID 110360995
N-benzyl-N-[4-[2-(2-methylpropylamino)-2-oxoethyl]phenyl]cyclopentanecarboxamide
CID 46052504
N-[(3-methylphenyl)methyl]-N-[4-[2-oxo-2-(pyridin-4-ylmethylamino)ethyl]phenyl]cyclopentanecarboxamide
CID 46052727
N-(4-methylphenyl)-N-(pyridin-3-ylmethyl)cyclopentanecarboxamide
CID 110360406
N-benzyl-3-fluoro-N-[4-[2-oxo-2-(pyridin-3-ylmethylamino)ethyl]phenyl]benzamide
CID 46046079
N-benzyl-N-[4-[2-(furan-2-ylmethylamino)-2-oxoethyl]phenyl]cyclopropanecarboxamide
CID 46045794
1-benzyl-1-phenyl-3-(pyridin-3-ylmethyl)urea
CID 110706293
2-(4-phenylphenyl)-N-(pyridin-3-ylmethyl)acetamide
CID 801778
N-[(3-methylphenyl)methyl]-N-[4-[2-oxo-2-[(4-propan-2-ylphenyl)methylamino]ethyl]phenyl]cyclopentanecarboxamide
CID 170566196
N-(pyridin-3-ylmethyl)cyclopentanecarboxamide
CID 595870
1-N'-benzyl-1-N'-phenyl-1-N-(pyridin-3-ylmethyl)cyclopropane-1,1-dicarboxamide
CID 108976890

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-[4-[2-oxo-2-(pyridin-3-ylmethylamino)ethyl]phenyl]cyclopentanecarboxamide?
The IUPAC name of N-benzyl-N-[4-[2-oxo-2-(pyridin-3-ylmethylamino)ethyl]phenyl]cyclopentanecarboxamide (CID 46046086) is N-benzyl-N-[4-[2-oxo-2-(pyridin-3-ylmethylamino)ethyl]phenyl]cyclopentanecarboxamide.
What is the SMILES notation for N-benzyl-N-[4-[2-oxo-2-(pyridin-3-ylmethylamino)ethyl]phenyl]cyclopentanecarboxamide?
The canonical SMILES for N-benzyl-N-[4-[2-oxo-2-(pyridin-3-ylmethylamino)ethyl]phenyl]cyclopentanecarboxamide is O=C(Cc1ccc(N(Cc2ccccc2)C(=O)C2CCCC2)cc1)NCc1cccnc1.
What is the InChIKey of N-benzyl-N-[4-[2-oxo-2-(pyridin-3-ylmethylamino)ethyl]phenyl]cyclopentanecarboxamide?
The InChIKey is OWOIKYAHHOEOJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29N3O2/c31-26(29-19-23-9-6-16-28-18-23)17-21-12-14-25(15-13-21)30(20-22-7-2-1-3-8-22)27(32)24-10-4-5-11-24/h1-3,6-9,12-16,18,24H,4-5,10-11,17,19-20H2,(H,29,31).
What are the key properties of N-benzyl-N-[4-[2-oxo-2-(pyridin-3-ylmethylamino)ethyl]phenyl]cyclopentanecarboxamide?
N-benzyl-N-[4-[2-oxo-2-(pyridin-3-ylmethylamino)ethyl]phenyl]cyclopentanecarboxamide has a molecular weight of 427.55 g/mol, XLogP of 4.66, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-[4-[2-oxo-2-(pyridin-3-ylmethylamino)ethyl]phenyl]cyclopentanecarboxamide is sourced from PubChem (CID 46046086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).