(5R)-1-[(4-aminophenyl)methyl]-5-pyridin-3-ylpyrrolidin-2-one

C16H17N3O — CID 171824420

IUPAC(5R)-1-[(4-aminophenyl)methyl]-5-pyridin-3-ylpyrrolidin-2-one
SMILESNc1ccc(CN2C(=O)CC[C@@H]2c2cccnc2)cc1
InChIInChI=1S/C16H17N3O/c17-14-5-3-12(4-6-14)11-19-15(7-8-16(19)20)13-2-1-9-18-10-13/h1-6,9-10,15H,7-8,11,17H2/t15-/m1/s1
InChIKeyALPXHIURLVHYEE-OAHLLOKOSA-N
MW267.33 g/mol
LogP2.53
Rot. Bonds3

About (5R)-1-[(4-aminophenyl)methyl]-5-pyridin-3-ylpyrrolidin-2-one

(5R)-1-[(4-aminophenyl)methyl]-5-pyridin-3-ylpyrrolidin-2-one (PubChem CID 171824420) has the molecular formula C16H17N3O and a molecular weight of 267.33 g/mol. Its IUPAC name is (5R)-1-[(4-aminophenyl)methyl]-5-pyridin-3-ylpyrrolidin-2-one.

Molecular Properties

Compound Name(5R)-1-[(4-aminophenyl)methyl]-5-pyridin-3-ylpyrrolidin-2-one
PubChem CID171824420
Molecular FormulaC16H17N3O
Molecular Weight267.33 g/mol
Exact Mass267.14
IUPAC Name(5R)-1-[(4-aminophenyl)methyl]-5-pyridin-3-ylpyrrolidin-2-one
SMILESNc1ccc(CN2C(=O)CC[C@@H]2c2cccnc2)cc1
InChIInChI=1S/C16H17N3O/c17-14-5-3-12(4-6-14)11-19-15(7-8-16(19)20)13-2-1-9-18-10-13/h1-6,9-10,15H,7-8,11,17H2/t15-/m1/s1
InChIKeyALPXHIURLVHYEE-OAHLLOKOSA-N
XLogP2.53
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

(5S)-1-(hydroxymethyl)-5-pyridin-3-ylpyrrolidin-2-one
CID 25201488
5-phenyl-1-(pyridin-4-ylmethyl)pyrrolidin-2-one
CID 173311481
5-methyl-1-(pyridin-3-ylmethyl)pyrrolidin-2-one
CID 132597790
5-(5-fluoro-3-pyridinyl)-1-[(4-nitrophenyl)methyl]pyrrolidin-2-one
CID 156824842
(2S)-3-[(4-chlorophenyl)methyl]-2-pyridin-3-yl-1,3-thiazolidin-4-one
CID 6924944
2-pyridin-3-yl-3-(pyridin-3-ylmethyl)-1,3-thiazolidin-4-one
CID 2732021
4-oxo-4-[6-[(5S)-2-oxo-5-pyridin-3-ylpyrrolidin-1-yl]hexylamino]butanoic acid
CID 10678149
1-(aminomethyl)-5-phenylpyrrolidin-2-one
CID 23348574
(2S)-3-[(4-methoxyphenyl)methyl]-2-pyridin-3-yl-1,3-thiazolidin-4-one
CID 6925536
1-(cyclopropylmethyl)-5-pyridin-3-yl-4,5-dihydroimidazol-2-amine
CID 79520544
(3aR,7aR)-1-[(4-methoxyphenyl)methyl]-4-(pyridin-3-ylmethyl)-2,3,3a,6,7,7a-hexahydropyrrolo[3,2-b]pyridin-5-one
CID 97379309
2-pyridin-3-ylpiperidin-1-amine
CID 5026347

Frequently Asked Questions

What is the IUPAC name of (5R)-1-[(4-aminophenyl)methyl]-5-pyridin-3-ylpyrrolidin-2-one?
The IUPAC name of (5R)-1-[(4-aminophenyl)methyl]-5-pyridin-3-ylpyrrolidin-2-one (CID 171824420) is (5R)-1-[(4-aminophenyl)methyl]-5-pyridin-3-ylpyrrolidin-2-one.
What is the SMILES notation for (5R)-1-[(4-aminophenyl)methyl]-5-pyridin-3-ylpyrrolidin-2-one?
The canonical SMILES for (5R)-1-[(4-aminophenyl)methyl]-5-pyridin-3-ylpyrrolidin-2-one is Nc1ccc(CN2C(=O)CC[C@@H]2c2cccnc2)cc1.
What is the InChIKey of (5R)-1-[(4-aminophenyl)methyl]-5-pyridin-3-ylpyrrolidin-2-one?
The InChIKey is ALPXHIURLVHYEE-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H17N3O/c17-14-5-3-12(4-6-14)11-19-15(7-8-16(19)20)13-2-1-9-18-10-13/h1-6,9-10,15H,7-8,11,17H2/t15-/m1/s1.
What are the key properties of (5R)-1-[(4-aminophenyl)methyl]-5-pyridin-3-ylpyrrolidin-2-one?
(5R)-1-[(4-aminophenyl)methyl]-5-pyridin-3-ylpyrrolidin-2-one has a molecular weight of 267.33 g/mol, XLogP of 2.53, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-1-[(4-aminophenyl)methyl]-5-pyridin-3-ylpyrrolidin-2-one is sourced from PubChem (CID 171824420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).