(3S)-3-[methyl(pyrido[2,3-b]pyrazin-6-yl)amino]-1-phenylpyrrolidin-2-one

C18H17N5O — CID 97218042

IUPAC(3S)-3-[methyl(pyrido[2,3-b]pyrazin-6-yl)amino]-1-phenylpyrrolidin-2-one
SMILESCN(c1ccc2nccnc2n1)[C@H]1CCN(c2ccccc2)C1=O
InChIInChI=1S/C18H17N5O/c1-22(16-8-7-14-17(21-16)20-11-10-19-14)15-9-12-23(18(15)24)13-5-3-2-4-6-13/h2-8,10-11,15H,9,12H2,1H3/t15-/m0/s1
InChIKeyCQWBIFIDIXRLSF-HNNXBMFYSA-N
MW319.37 g/mol
LogP2.27
Rot. Bonds3

About (3S)-3-[methyl(pyrido[2,3-b]pyrazin-6-yl)amino]-1-phenylpyrrolidin-2-one

(3S)-3-[methyl(pyrido[2,3-b]pyrazin-6-yl)amino]-1-phenylpyrrolidin-2-one (PubChem CID 97218042) has the molecular formula C18H17N5O and a molecular weight of 319.37 g/mol. Its IUPAC name is (3S)-3-[methyl(pyrido[2,3-b]pyrazin-6-yl)amino]-1-phenylpyrrolidin-2-one.

Molecular Properties

Compound Name(3S)-3-[methyl(pyrido[2,3-b]pyrazin-6-yl)amino]-1-phenylpyrrolidin-2-one
PubChem CID97218042
Molecular FormulaC18H17N5O
Molecular Weight319.37 g/mol
Exact Mass319.14
IUPAC Name(3S)-3-[methyl(pyrido[2,3-b]pyrazin-6-yl)amino]-1-phenylpyrrolidin-2-one
SMILESCN(c1ccc2nccnc2n1)[C@H]1CCN(c2ccccc2)C1=O
InChIInChI=1S/C18H17N5O/c1-22(16-8-7-14-17(21-16)20-11-10-19-14)15-9-12-23(18(15)24)13-5-3-2-4-6-13/h2-8,10-11,15H,9,12H2,1H3/t15-/m0/s1
InChIKeyCQWBIFIDIXRLSF-HNNXBMFYSA-N
XLogP2.27
TPSA62.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.37
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-[methyl(pyrido[2,3-b]pyrazin-6-yl)amino]-1-phenylpyrrolidin-2-one?
The IUPAC name of (3S)-3-[methyl(pyrido[2,3-b]pyrazin-6-yl)amino]-1-phenylpyrrolidin-2-one (CID 97218042) is (3S)-3-[methyl(pyrido[2,3-b]pyrazin-6-yl)amino]-1-phenylpyrrolidin-2-one.
What is the SMILES notation for (3S)-3-[methyl(pyrido[2,3-b]pyrazin-6-yl)amino]-1-phenylpyrrolidin-2-one?
The canonical SMILES for (3S)-3-[methyl(pyrido[2,3-b]pyrazin-6-yl)amino]-1-phenylpyrrolidin-2-one is CN(c1ccc2nccnc2n1)[C@H]1CCN(c2ccccc2)C1=O.
What is the InChIKey of (3S)-3-[methyl(pyrido[2,3-b]pyrazin-6-yl)amino]-1-phenylpyrrolidin-2-one?
The InChIKey is CQWBIFIDIXRLSF-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H17N5O/c1-22(16-8-7-14-17(21-16)20-11-10-19-14)15-9-12-23(18(15)24)13-5-3-2-4-6-13/h2-8,10-11,15H,9,12H2,1H3/t15-/m0/s1.
What are the key properties of (3S)-3-[methyl(pyrido[2,3-b]pyrazin-6-yl)amino]-1-phenylpyrrolidin-2-one?
(3S)-3-[methyl(pyrido[2,3-b]pyrazin-6-yl)amino]-1-phenylpyrrolidin-2-one has a molecular weight of 319.37 g/mol, XLogP of 2.27, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-[methyl(pyrido[2,3-b]pyrazin-6-yl)amino]-1-phenylpyrrolidin-2-one is sourced from PubChem (CID 97218042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).