5-amino-1,3,3-trimethyl-6-[[(1S)-1-phenylethyl]amino]pyrrolo[2,3-b]pyridin-2-one

C18H22N4O — CID 118509544

IUPAC5-amino-1,3,3-trimethyl-6-[[(1S)-1-phenylethyl]amino]pyrrolo[2,3-b]pyridin-2-one
SMILESC[C@H](Nc1nc2c(cc1N)C(C)(C)C(=O)N2C)c1ccccc1
InChIInChI=1S/C18H22N4O/c1-11(12-8-6-5-7-9-12)20-15-14(19)10-13-16(21-15)22(4)17(23)18(13,2)3/h5-11H,19H2,1-4H3,(H,20,21)/t11-/m0/s1
InChIKeyUYICDVAIZSPQNN-NSHDSACASA-N
MW310.40 g/mol
LogP3.09
Rot. Bonds3

About 5-amino-1,3,3-trimethyl-6-[[(1S)-1-phenylethyl]amino]pyrrolo[2,3-b]pyridin-2-one

5-amino-1,3,3-trimethyl-6-[[(1S)-1-phenylethyl]amino]pyrrolo[2,3-b]pyridin-2-one (PubChem CID 118509544) has the molecular formula C18H22N4O and a molecular weight of 310.40 g/mol. Its IUPAC name is 5-amino-1,3,3-trimethyl-6-[[(1S)-1-phenylethyl]amino]pyrrolo[2,3-b]pyridin-2-one.

Molecular Properties

Compound Name5-amino-1,3,3-trimethyl-6-[[(1S)-1-phenylethyl]amino]pyrrolo[2,3-b]pyridin-2-one
PubChem CID118509544
Molecular FormulaC18H22N4O
Molecular Weight310.40 g/mol
Exact Mass310.18
IUPAC Name5-amino-1,3,3-trimethyl-6-[[(1S)-1-phenylethyl]amino]pyrrolo[2,3-b]pyridin-2-one
SMILESC[C@H](Nc1nc2c(cc1N)C(C)(C)C(=O)N2C)c1ccccc1
InChIInChI=1S/C18H22N4O/c1-11(12-8-6-5-7-9-12)20-15-14(19)10-13-16(21-15)22(4)17(23)18(13,2)3/h5-11H,19H2,1-4H3,(H,20,21)/t11-/m0/s1
InChIKeyUYICDVAIZSPQNN-NSHDSACASA-N
XLogP3.09
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-amino-1,3,3-trimethyl-6-[[(1S)-1-phenylethyl]amino]pyrrolo[2,3-b]pyridin-2-one with MolForge

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Launch Full Analysis

Related Compounds

5-amino-1-ethyl-3,3-dimethyl-6-(1-phenylethylamino)indol-2-one
CID 123326155
5-nitro-2-N-(1-phenylethyl)pyridine-2,3-diamine
CID 21157439
6-amino-1,3,3-trimethylpyrrolo[2,3-b]pyridin-2-one
CID 90047522
8-[[(1R)-1-[3-(1,1-difluoroethyl)phenyl]ethyl]amino]-1,3,3,5-tetramethylpyrrolo[3,2-g]phthalazin-2-one
CID 169194859
3-N-[(1R)-1-phenylethyl]pyrazine-2,3-diamine
CID 66699794
3-N-(1-phenylethyl)pyrazine-2,3-diamine
CID 66699795
5-methyl-2-N-(1-phenylethyl)pyridine-2,4-diamine
CID 83265107
8-[[(1R)-1-[3-(1,1-difluoro-2-hydroxyethyl)phenyl]ethyl]amino]-1,3,3,5-tetramethylpyrrolo[3,2-g]phthalazin-2-one
CID 169194833
5,6-diamino-1,3,3-trimethylindol-2-one
CID 23092656
8-[[(1R)-1-[3-(1,1-difluoro-2-hydroxy-2-methylpropyl)phenyl]ethyl]amino]-1,3,3,5-tetramethylpyrrolo[3,2-g]phthalazin-2-one
CID 169194772
3-bromo-2-N-(1-phenylethyl)pyridine-2,5-diamine
CID 79531608
1-methyl-5-N-(1-phenylethyl)-3-propan-2-ylpyrazole-4,5-diamine
CID 66018949

Frequently Asked Questions

What is the IUPAC name of 5-amino-1,3,3-trimethyl-6-[[(1S)-1-phenylethyl]amino]pyrrolo[2,3-b]pyridin-2-one?
The IUPAC name of 5-amino-1,3,3-trimethyl-6-[[(1S)-1-phenylethyl]amino]pyrrolo[2,3-b]pyridin-2-one (CID 118509544) is 5-amino-1,3,3-trimethyl-6-[[(1S)-1-phenylethyl]amino]pyrrolo[2,3-b]pyridin-2-one.
What is the SMILES notation for 5-amino-1,3,3-trimethyl-6-[[(1S)-1-phenylethyl]amino]pyrrolo[2,3-b]pyridin-2-one?
The canonical SMILES for 5-amino-1,3,3-trimethyl-6-[[(1S)-1-phenylethyl]amino]pyrrolo[2,3-b]pyridin-2-one is C[C@H](Nc1nc2c(cc1N)C(C)(C)C(=O)N2C)c1ccccc1.
What is the InChIKey of 5-amino-1,3,3-trimethyl-6-[[(1S)-1-phenylethyl]amino]pyrrolo[2,3-b]pyridin-2-one?
The InChIKey is UYICDVAIZSPQNN-NSHDSACASA-N. The full InChI is InChI=1S/C18H22N4O/c1-11(12-8-6-5-7-9-12)20-15-14(19)10-13-16(21-15)22(4)17(23)18(13,2)3/h5-11H,19H2,1-4H3,(H,20,21)/t11-/m0/s1.
What are the key properties of 5-amino-1,3,3-trimethyl-6-[[(1S)-1-phenylethyl]amino]pyrrolo[2,3-b]pyridin-2-one?
5-amino-1,3,3-trimethyl-6-[[(1S)-1-phenylethyl]amino]pyrrolo[2,3-b]pyridin-2-one has a molecular weight of 310.40 g/mol, XLogP of 3.09, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1,3,3-trimethyl-6-[[(1S)-1-phenylethyl]amino]pyrrolo[2,3-b]pyridin-2-one is sourced from PubChem (CID 118509544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).