1-[2-(3-chlorophenyl)ethyl]-4-(pyridin-4-ylmethylamino)pyrrolidin-2-one

C18H20ClN3O — CID 45218365

IUPAC1-[2-(3-chlorophenyl)ethyl]-4-(pyridin-4-ylmethylamino)pyrrolidin-2-one
SMILESO=C1CC(NCc2ccncc2)CN1CCc1cccc(Cl)c1
InChIInChI=1S/C18H20ClN3O/c19-16-3-1-2-14(10-16)6-9-22-13-17(11-18(22)23)21-12-15-4-7-20-8-5-15/h1-5,7-8,10,17,21H,6,9,11-13H2
InChIKeyOIBBFECEAKNHFV-UHFFFAOYSA-N
MW329.83 g/mol
LogP2.67
Rot. Bonds6

About 1-[2-(3-chlorophenyl)ethyl]-4-(pyridin-4-ylmethylamino)pyrrolidin-2-one

1-[2-(3-chlorophenyl)ethyl]-4-(pyridin-4-ylmethylamino)pyrrolidin-2-one (PubChem CID 45218365) has the molecular formula C18H20ClN3O and a molecular weight of 329.83 g/mol. Its IUPAC name is 1-[2-(3-chlorophenyl)ethyl]-4-(pyridin-4-ylmethylamino)pyrrolidin-2-one.

Molecular Properties

Compound Name1-[2-(3-chlorophenyl)ethyl]-4-(pyridin-4-ylmethylamino)pyrrolidin-2-one
PubChem CID45218365
Molecular FormulaC18H20ClN3O
Molecular Weight329.83 g/mol
Exact Mass329.13
IUPAC Name1-[2-(3-chlorophenyl)ethyl]-4-(pyridin-4-ylmethylamino)pyrrolidin-2-one
SMILESO=C1CC(NCc2ccncc2)CN1CCc1cccc(Cl)c1
InChIInChI=1S/C18H20ClN3O/c19-16-3-1-2-14(10-16)6-9-22-13-17(11-18(22)23)21-12-15-4-7-20-8-5-15/h1-5,7-8,10,17,21H,6,9,11-13H2
InChIKeyOIBBFECEAKNHFV-UHFFFAOYSA-N
XLogP2.67
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.83
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-chlorophenyl)methyl]pyridine-4-carboxamide
CID 1245725
N-[(4-chlorophenyl)-pyridin-4-ylmethyl]-3-(4-phenylpiperidin-1-yl)propanamide
CID 57399391
N-[2-[4-[(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]ethyl]pyridine-4-carboxamide;hydrochloride
CID 127042281
4-(4-chlorophenyl)-N-(3-pyridinylmethyl)cyclohexanecarboxamide
CID 2815214
2-(2-chlorophenyl)-N-(pyridin-3-ylmethyl)acetamide
CID 2971027
3-(carbamoylamino)-3-(2-chlorophenyl)-N-(2-pyridin-2-ylethyl)propanamide
CID 4884349
2-[3-(2-chlorobenzyl)-2-oxoimidazolidin-1-yl]-N-(pyridin-2-ylmethyl)acetamide
CID 15993317
N-[2-(3-chlorophenyl)ethyl]pyridine-3-carboxamide
CID 737714
(4-(3-Chlorobenzyl)piperazin-1-yl)(1-(pyridin-4-ylmethyl)piperidin-4-yl)methanone
CID 10179947
(E)-5,5-bis(3-chlorophenyl)-N-[4-(3-pyridinyl)butyl]-2,4-pentadienamide
CID 14347340
N-(2-((4-chlorophenyl)(phenyl)methylamino)-2-oxoethyl)isonicotinamide
CID 44579189
(4S,5R)-4-(4-chlorophenyl)-3-(cyclopropylmethyl)-5-(2-methylpropyl)-N-(2-pyridin-4-ylethyl)-4H-imidazole-5-carboxamide
CID 54766771

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-chlorophenyl)ethyl]-4-(pyridin-4-ylmethylamino)pyrrolidin-2-one?
The IUPAC name of 1-[2-(3-chlorophenyl)ethyl]-4-(pyridin-4-ylmethylamino)pyrrolidin-2-one (CID 45218365) is 1-[2-(3-chlorophenyl)ethyl]-4-(pyridin-4-ylmethylamino)pyrrolidin-2-one.
What is the SMILES notation for 1-[2-(3-chlorophenyl)ethyl]-4-(pyridin-4-ylmethylamino)pyrrolidin-2-one?
The canonical SMILES for 1-[2-(3-chlorophenyl)ethyl]-4-(pyridin-4-ylmethylamino)pyrrolidin-2-one is O=C1CC(NCc2ccncc2)CN1CCc1cccc(Cl)c1.
What is the InChIKey of 1-[2-(3-chlorophenyl)ethyl]-4-(pyridin-4-ylmethylamino)pyrrolidin-2-one?
The InChIKey is OIBBFECEAKNHFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN3O/c19-16-3-1-2-14(10-16)6-9-22-13-17(11-18(22)23)21-12-15-4-7-20-8-5-15/h1-5,7-8,10,17,21H,6,9,11-13H2.
What are the key properties of 1-[2-(3-chlorophenyl)ethyl]-4-(pyridin-4-ylmethylamino)pyrrolidin-2-one?
1-[2-(3-chlorophenyl)ethyl]-4-(pyridin-4-ylmethylamino)pyrrolidin-2-one has a molecular weight of 329.83 g/mol, XLogP of 2.67, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-chlorophenyl)ethyl]-4-(pyridin-4-ylmethylamino)pyrrolidin-2-one is sourced from PubChem (CID 45218365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).