3-[(6-methyl-2-pyridinyl)amino]-1-(3-phenylpropyl)pyrrolidin-2-one

C19H23N3O — CID 133483895

IUPAC3-[(6-methyl-2-pyridinyl)amino]-1-(3-phenylpropyl)pyrrolidin-2-one
SMILESCc1cccc(NC2CCN(CCCc3ccccc3)C2=O)n1
InChIInChI=1S/C19H23N3O/c1-15-7-5-11-18(20-15)21-17-12-14-22(19(17)23)13-6-10-16-8-3-2-4-9-16/h2-5,7-9,11,17H,6,10,12-14H2,1H3,(H,20,21)
InChIKeyPWEBSOQTNIBVCH-UHFFFAOYSA-N
MW309.41 g/mol
LogP3.04
Rot. Bonds6

About 3-[(6-methyl-2-pyridinyl)amino]-1-(3-phenylpropyl)pyrrolidin-2-one

3-[(6-methyl-2-pyridinyl)amino]-1-(3-phenylpropyl)pyrrolidin-2-one (PubChem CID 133483895) has the molecular formula C19H23N3O and a molecular weight of 309.41 g/mol. Its IUPAC name is 3-[(6-methyl-2-pyridinyl)amino]-1-(3-phenylpropyl)pyrrolidin-2-one.

Molecular Properties

Compound Name3-[(6-methyl-2-pyridinyl)amino]-1-(3-phenylpropyl)pyrrolidin-2-one
PubChem CID133483895
Molecular FormulaC19H23N3O
Molecular Weight309.41 g/mol
Exact Mass309.18
IUPAC Name3-[(6-methyl-2-pyridinyl)amino]-1-(3-phenylpropyl)pyrrolidin-2-one
SMILESCc1cccc(NC2CCN(CCCc3ccccc3)C2=O)n1
InChIInChI=1S/C19H23N3O/c1-15-7-5-11-18(20-15)21-17-12-14-22(19(17)23)13-6-10-16-8-3-2-4-9-16/h2-5,7-9,11,17H,6,10,12-14H2,1H3,(H,20,21)
InChIKeyPWEBSOQTNIBVCH-UHFFFAOYSA-N
XLogP3.04
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]-1-(3-phenylpropyl)pyrrolidin-2-one
CID 133337113
3-[(3-methylquinoxalin-2-yl)amino]-1-(3-phenylpropyl)pyrrolidin-2-one
CID 133337054
1-methyl-3-[(6-methyl-2-pyridinyl)amino]pyrrolidin-2-one
CID 104891772
1-(3-phenylpropyl)-3-[[6-(trifluoromethyl)pyridazin-3-yl]amino]pyrrolidin-2-one
CID 133418807
5-[[2-oxo-1-(3-phenylpropyl)pyrrolidin-3-yl]amino]pyrazine-2-carbonitrile
CID 133485643
1-(1-methylpyrazol-4-yl)-3-[(6-methyl-2-pyridinyl)amino]pyrrolidin-2-one
CID 133483353
(3R)-3-amino-1-(3-phenylpropyl)pyrrolidin-2-one
CID 94237309
1-(3-phenylpropyl)-3-[(2-pyridin-4-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]pyrrolidin-2-one
CID 133337105
3-[(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)amino]-1-(3-phenylpropyl)pyrrolidin-2-one
CID 84598997
1-(1-cyclohexyl-2-oxopiperidin-3-yl)-3-[2-oxo-1-(3-phenylpropyl)pyrrolidin-3-yl]urea
CID 166232757
6-methyl-N-[(3R)-5-oxo-1-(3-phenylpropyl)pyrrolidin-3-yl]pyridine-2-carboxamide
CID 26394314
6-methyl-N-[5-oxo-1-(3-phenylpropyl)pyrrolidin-3-yl]pyridine-2-carboxamide
CID 45246662

Frequently Asked Questions

What is the IUPAC name of 3-[(6-methyl-2-pyridinyl)amino]-1-(3-phenylpropyl)pyrrolidin-2-one?
The IUPAC name of 3-[(6-methyl-2-pyridinyl)amino]-1-(3-phenylpropyl)pyrrolidin-2-one (CID 133483895) is 3-[(6-methyl-2-pyridinyl)amino]-1-(3-phenylpropyl)pyrrolidin-2-one.
What is the SMILES notation for 3-[(6-methyl-2-pyridinyl)amino]-1-(3-phenylpropyl)pyrrolidin-2-one?
The canonical SMILES for 3-[(6-methyl-2-pyridinyl)amino]-1-(3-phenylpropyl)pyrrolidin-2-one is Cc1cccc(NC2CCN(CCCc3ccccc3)C2=O)n1.
What is the InChIKey of 3-[(6-methyl-2-pyridinyl)amino]-1-(3-phenylpropyl)pyrrolidin-2-one?
The InChIKey is PWEBSOQTNIBVCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O/c1-15-7-5-11-18(20-15)21-17-12-14-22(19(17)23)13-6-10-16-8-3-2-4-9-16/h2-5,7-9,11,17H,6,10,12-14H2,1H3,(H,20,21).
What are the key properties of 3-[(6-methyl-2-pyridinyl)amino]-1-(3-phenylpropyl)pyrrolidin-2-one?
3-[(6-methyl-2-pyridinyl)amino]-1-(3-phenylpropyl)pyrrolidin-2-one has a molecular weight of 309.41 g/mol, XLogP of 3.04, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-methyl-2-pyridinyl)amino]-1-(3-phenylpropyl)pyrrolidin-2-one is sourced from PubChem (CID 133483895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).