(4R,5S)-4-(1H-indol-4-ylmethylamino)-1-methyl-5-pyridin-3-ylpyrrolidin-2-one

C19H20N4O — CID 128976829

IUPAC(4R,5S)-4-(1H-indol-4-ylmethylamino)-1-methyl-5-pyridin-3-ylpyrrolidin-2-one
SMILESCN1C(=O)C[C@@H](NCc2cccc3[nH]ccc23)[C@@H]1c1cccnc1
InChIInChI=1S/C19H20N4O/c1-23-18(24)10-17(19(23)14-5-3-8-20-11-14)22-12-13-4-2-6-16-15(13)7-9-21-16/h2-9,11,17,19,21-22H,10,12H2,1H3/t17-,19+/m1/s1
InChIKeyGWRSXCLVRPEJAA-MJGOQNOKSA-N
MW320.40 g/mol
LogP2.62
Rot. Bonds4

About (4R,5S)-4-(1H-indol-4-ylmethylamino)-1-methyl-5-pyridin-3-ylpyrrolidin-2-one

(4R,5S)-4-(1H-indol-4-ylmethylamino)-1-methyl-5-pyridin-3-ylpyrrolidin-2-one (PubChem CID 128976829) has the molecular formula C19H20N4O and a molecular weight of 320.40 g/mol. Its IUPAC name is (4R,5S)-4-(1H-indol-4-ylmethylamino)-1-methyl-5-pyridin-3-ylpyrrolidin-2-one.

Molecular Properties

Compound Name(4R,5S)-4-(1H-indol-4-ylmethylamino)-1-methyl-5-pyridin-3-ylpyrrolidin-2-one
PubChem CID128976829
Molecular FormulaC19H20N4O
Molecular Weight320.40 g/mol
Exact Mass320.16
IUPAC Name(4R,5S)-4-(1H-indol-4-ylmethylamino)-1-methyl-5-pyridin-3-ylpyrrolidin-2-one
SMILESCN1C(=O)C[C@@H](NCc2cccc3[nH]ccc23)[C@@H]1c1cccnc1
InChIInChI=1S/C19H20N4O/c1-23-18(24)10-17(19(23)14-5-3-8-20-11-14)22-12-13-4-2-6-16-15(13)7-9-21-16/h2-9,11,17,19,21-22H,10,12H2,1H3/t17-,19+/m1/s1
InChIKeyGWRSXCLVRPEJAA-MJGOQNOKSA-N
XLogP2.62
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.40
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(4R,5S)-1-methyl-4-(1H-pyrazol-5-ylmethylamino)-5-pyridin-3-ylpyrrolidin-2-one
CID 167932575
(4R,5R)-5-(4-chlorophenyl)-1-methyl-4-(pyridin-3-ylmethylamino)pyrrolidin-2-one
CID 97158629
2-(3-hydroxyphenyl)-N-[(2R,3S)-1-methyl-5-oxo-2-pyridin-3-ylpyrrolidin-3-yl]acetamide
CID 138013868
(4R,5S)-1-methyl-4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methylamino]-5-pyridin-3-ylpyrrolidin-2-one
CID 128987599
(4R,5S)-1-methyl-4-[(1-methylbenzimidazol-5-yl)methylamino]-5-pyridin-3-ylpyrrolidin-2-one
CID 128976826
2-fluoro-4-[[[(2S,3R)-1-methyl-5-oxo-2-pyridin-3-ylpyrrolidin-3-yl]amino]methyl]benzonitrile
CID 128987673
2-fluoro-5-[[[(2S,3R)-1-methyl-5-oxo-2-pyridin-3-ylpyrrolidin-3-yl]amino]methyl]benzonitrile
CID 128987639
(4R,5S)-4-[(6-ethyl-2-methylpyrimidin-4-yl)amino]-1-methyl-5-pyridin-3-ylpyrrolidin-2-one;hydroiodide
CID 167938842
N-(1H-indol-4-ylmethyl)-2-methylcyclohexan-1-amine
CID 62999891
2-methyl-N-[(2S,3R)-1-methyl-5-oxo-2-pyridin-3-ylpyrrolidin-3-yl]benzenesulfonamide
CID 128977244
(2S,3S)-N-(1H-indol-4-ylmethyl)-2-(1-methylimidazol-2-yl)oxolan-3-amine
CID 128976373
methyl (3S)-1-methyl-5-oxo-2-pyridin-3-ylpyrrolidine-3-carboxylate
CID 58291565

Frequently Asked Questions

What is the IUPAC name of (4R,5S)-4-(1H-indol-4-ylmethylamino)-1-methyl-5-pyridin-3-ylpyrrolidin-2-one?
The IUPAC name of (4R,5S)-4-(1H-indol-4-ylmethylamino)-1-methyl-5-pyridin-3-ylpyrrolidin-2-one (CID 128976829) is (4R,5S)-4-(1H-indol-4-ylmethylamino)-1-methyl-5-pyridin-3-ylpyrrolidin-2-one.
What is the SMILES notation for (4R,5S)-4-(1H-indol-4-ylmethylamino)-1-methyl-5-pyridin-3-ylpyrrolidin-2-one?
The canonical SMILES for (4R,5S)-4-(1H-indol-4-ylmethylamino)-1-methyl-5-pyridin-3-ylpyrrolidin-2-one is CN1C(=O)C[C@@H](NCc2cccc3[nH]ccc23)[C@@H]1c1cccnc1.
What is the InChIKey of (4R,5S)-4-(1H-indol-4-ylmethylamino)-1-methyl-5-pyridin-3-ylpyrrolidin-2-one?
The InChIKey is GWRSXCLVRPEJAA-MJGOQNOKSA-N. The full InChI is InChI=1S/C19H20N4O/c1-23-18(24)10-17(19(23)14-5-3-8-20-11-14)22-12-13-4-2-6-16-15(13)7-9-21-16/h2-9,11,17,19,21-22H,10,12H2,1H3/t17-,19+/m1/s1.
What are the key properties of (4R,5S)-4-(1H-indol-4-ylmethylamino)-1-methyl-5-pyridin-3-ylpyrrolidin-2-one?
(4R,5S)-4-(1H-indol-4-ylmethylamino)-1-methyl-5-pyridin-3-ylpyrrolidin-2-one has a molecular weight of 320.40 g/mol, XLogP of 2.62, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5S)-4-(1H-indol-4-ylmethylamino)-1-methyl-5-pyridin-3-ylpyrrolidin-2-one is sourced from PubChem (CID 128976829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).