2-pyridin-2-yl-1-(4-pyrrolidin-1-ylphenyl)ethanone

C17H18N2O — CID 10611815

IUPAC2-pyridin-2-yl-1-(4-pyrrolidin-1-ylphenyl)ethanone
SMILESO=C(Cc1ccccn1)c1ccc(N2CCCC2)cc1
InChIInChI=1S/C17H18N2O/c20-17(13-15-5-1-2-10-18-15)14-6-8-16(9-7-14)19-11-3-4-12-19/h1-2,5-10H,3-4,11-13H2
InChIKeyVHSFQLIIBGBQKT-UHFFFAOYSA-N
MW266.34 g/mol
LogP3.11
Rot. Bonds4

About 2-pyridin-2-yl-1-(4-pyrrolidin-1-ylphenyl)ethanone

2-pyridin-2-yl-1-(4-pyrrolidin-1-ylphenyl)ethanone (PubChem CID 10611815) has the molecular formula C17H18N2O and a molecular weight of 266.34 g/mol. Its IUPAC name is 2-pyridin-2-yl-1-(4-pyrrolidin-1-ylphenyl)ethanone.

Molecular Properties

Compound Name2-pyridin-2-yl-1-(4-pyrrolidin-1-ylphenyl)ethanone
PubChem CID10611815
Molecular FormulaC17H18N2O
Molecular Weight266.34 g/mol
Exact Mass266.14
IUPAC Name2-pyridin-2-yl-1-(4-pyrrolidin-1-ylphenyl)ethanone
SMILESO=C(Cc1ccccn1)c1ccc(N2CCCC2)cc1
InChIInChI=1S/C17H18N2O/c20-17(13-15-5-1-2-10-18-15)14-6-8-16(9-7-14)19-11-3-4-12-19/h1-2,5-10H,3-4,11-13H2
InChIKeyVHSFQLIIBGBQKT-UHFFFAOYSA-N
XLogP3.11
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-phenyl-2-pyridin-2-ylethanone;hydrochloride
CID 22758250
2-(4-piperidin-1-ylphenyl)-N-(pyridin-2-ylmethyl)acetamide
CID 110648259
1-[4-(4-chlorophenyl)piperazin-1-yl]-2-pyridin-2-ylethanone
CID 143237953
1-[4-(4-fluorophenyl)piperazin-1-yl]-2-pyridin-2-ylethanone
CID 110696933
2-bromo-1-(4-pyrrolidin-1-ylphenyl)ethanone
CID 3681785
1-[4-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]phenyl]ethanone
CID 91843582
1-[4-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)phenyl]-3-[4-(2-pyridin-2-ylacetyl)phenyl]urea
CID 44516955
2-pyridin-2-yl-1-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl)ethanone
CID 73350647
N-[4-[(4-piperidin-1-ylphenyl)carbamoyl]phenyl]pyridine-2-carboxamide
CID 46489538
1-(1,3-dihydro-2-benzofuran-5-yl)-2-pyridin-2-ylethanone
CID 63743858
N-(pyridin-2-ylmethyl)-5-(4-pyrrolidin-1-ylanilino)pyridine-3-carboxamide
CID 109235020
2,2-dimethyl-N-(pyridin-2-ylmethyl)-N'-(4-pyrrolidin-1-ylphenyl)propanediamide
CID 108963447

Frequently Asked Questions

What is the IUPAC name of 2-pyridin-2-yl-1-(4-pyrrolidin-1-ylphenyl)ethanone?
The IUPAC name of 2-pyridin-2-yl-1-(4-pyrrolidin-1-ylphenyl)ethanone (CID 10611815) is 2-pyridin-2-yl-1-(4-pyrrolidin-1-ylphenyl)ethanone.
What is the SMILES notation for 2-pyridin-2-yl-1-(4-pyrrolidin-1-ylphenyl)ethanone?
The canonical SMILES for 2-pyridin-2-yl-1-(4-pyrrolidin-1-ylphenyl)ethanone is O=C(Cc1ccccn1)c1ccc(N2CCCC2)cc1.
What is the InChIKey of 2-pyridin-2-yl-1-(4-pyrrolidin-1-ylphenyl)ethanone?
The InChIKey is VHSFQLIIBGBQKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O/c20-17(13-15-5-1-2-10-18-15)14-6-8-16(9-7-14)19-11-3-4-12-19/h1-2,5-10H,3-4,11-13H2.
What are the key properties of 2-pyridin-2-yl-1-(4-pyrrolidin-1-ylphenyl)ethanone?
2-pyridin-2-yl-1-(4-pyrrolidin-1-ylphenyl)ethanone has a molecular weight of 266.34 g/mol, XLogP of 3.11, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyridin-2-yl-1-(4-pyrrolidin-1-ylphenyl)ethanone is sourced from PubChem (CID 10611815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).