1-[3-[[(4-chlorophenyl)-pyridin-3-ylmethyl]amino]propyl]pyrrolidin-2-one

C19H22ClN3O — CID 56665598

IUPAC1-[3-[[(4-chlorophenyl)-pyridin-3-ylmethyl]amino]propyl]pyrrolidin-2-one
SMILESO=C1CCCN1CCCNC(c1ccc(Cl)cc1)c1cccnc1
InChIInChI=1S/C19H22ClN3O/c20-17-8-6-15(7-9-17)19(16-4-1-10-21-14-16)22-11-3-13-23-12-2-5-18(23)24/h1,4,6-10,14,19,22H,2-3,5,11-13H2
InChIKeyKFFWFPPDUDSJLN-UHFFFAOYSA-N
MW343.86 g/mol
LogP3.43
Rot. Bonds7

About 1-[3-[[(4-chlorophenyl)-pyridin-3-ylmethyl]amino]propyl]pyrrolidin-2-one

1-[3-[[(4-chlorophenyl)-pyridin-3-ylmethyl]amino]propyl]pyrrolidin-2-one (PubChem CID 56665598) has the molecular formula C19H22ClN3O and a molecular weight of 343.86 g/mol. Its IUPAC name is 1-[3-[[(4-chlorophenyl)-pyridin-3-ylmethyl]amino]propyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[3-[[(4-chlorophenyl)-pyridin-3-ylmethyl]amino]propyl]pyrrolidin-2-one
PubChem CID56665598
Molecular FormulaC19H22ClN3O
Molecular Weight343.86 g/mol
Exact Mass343.15
IUPAC Name1-[3-[[(4-chlorophenyl)-pyridin-3-ylmethyl]amino]propyl]pyrrolidin-2-one
SMILESO=C1CCCN1CCCNC(c1ccc(Cl)cc1)c1cccnc1
InChIInChI=1S/C19H22ClN3O/c20-17-8-6-15(7-9-17)19(16-4-1-10-21-14-16)22-11-3-13-23-12-2-5-18(23)24/h1,4,6-10,14,19,22H,2-3,5,11-13H2
InChIKeyKFFWFPPDUDSJLN-UHFFFAOYSA-N
XLogP3.43
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.86
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[[(4-chlorophenyl)-pyridin-3-ylmethyl]amino]propyl]pyrrolidin-2-one?
The IUPAC name of 1-[3-[[(4-chlorophenyl)-pyridin-3-ylmethyl]amino]propyl]pyrrolidin-2-one (CID 56665598) is 1-[3-[[(4-chlorophenyl)-pyridin-3-ylmethyl]amino]propyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[3-[[(4-chlorophenyl)-pyridin-3-ylmethyl]amino]propyl]pyrrolidin-2-one?
The canonical SMILES for 1-[3-[[(4-chlorophenyl)-pyridin-3-ylmethyl]amino]propyl]pyrrolidin-2-one is O=C1CCCN1CCCNC(c1ccc(Cl)cc1)c1cccnc1.
What is the InChIKey of 1-[3-[[(4-chlorophenyl)-pyridin-3-ylmethyl]amino]propyl]pyrrolidin-2-one?
The InChIKey is KFFWFPPDUDSJLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClN3O/c20-17-8-6-15(7-9-17)19(16-4-1-10-21-14-16)22-11-3-13-23-12-2-5-18(23)24/h1,4,6-10,14,19,22H,2-3,5,11-13H2.
What are the key properties of 1-[3-[[(4-chlorophenyl)-pyridin-3-ylmethyl]amino]propyl]pyrrolidin-2-one?
1-[3-[[(4-chlorophenyl)-pyridin-3-ylmethyl]amino]propyl]pyrrolidin-2-one has a molecular weight of 343.86 g/mol, XLogP of 3.43, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[[(4-chlorophenyl)-pyridin-3-ylmethyl]amino]propyl]pyrrolidin-2-one is sourced from PubChem (CID 56665598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).