(4S)-1-(naphthalen-1-ylmethyl)-4-[(3,5,6-trimethylpyrazin-2-yl)methylamino]pyrrolidin-2-one

C23H26N4O — CID 25457556

IUPAC(4S)-1-(naphthalen-1-ylmethyl)-4-[(3,5,6-trimethylpyrazin-2-yl)methylamino]pyrrolidin-2-one
SMILESCc1nc(C)c(CN[C@H]2CC(=O)N(Cc3cccc4ccccc34)C2)nc1C
InChIInChI=1S/C23H26N4O/c1-15-16(2)26-22(17(3)25-15)12-24-20-11-23(28)27(14-20)13-19-9-6-8-18-7-4-5-10-21(18)19/h4-10,20,24H,11-14H2,1-3H3/t20-/m0/s1
InChIKeyXKAWMZUVFUYAQS-FQEVSTJZSA-N
MW374.49 g/mol
LogP3.45
Rot. Bonds5

About (4S)-1-(naphthalen-1-ylmethyl)-4-[(3,5,6-trimethylpyrazin-2-yl)methylamino]pyrrolidin-2-one

(4S)-1-(naphthalen-1-ylmethyl)-4-[(3,5,6-trimethylpyrazin-2-yl)methylamino]pyrrolidin-2-one (PubChem CID 25457556) has the molecular formula C23H26N4O and a molecular weight of 374.49 g/mol. Its IUPAC name is (4S)-1-(naphthalen-1-ylmethyl)-4-[(3,5,6-trimethylpyrazin-2-yl)methylamino]pyrrolidin-2-one.

Molecular Properties

Compound Name(4S)-1-(naphthalen-1-ylmethyl)-4-[(3,5,6-trimethylpyrazin-2-yl)methylamino]pyrrolidin-2-one
PubChem CID25457556
Molecular FormulaC23H26N4O
Molecular Weight374.49 g/mol
Exact Mass374.21
IUPAC Name(4S)-1-(naphthalen-1-ylmethyl)-4-[(3,5,6-trimethylpyrazin-2-yl)methylamino]pyrrolidin-2-one
SMILESCc1nc(C)c(CN[C@H]2CC(=O)N(Cc3cccc4ccccc34)C2)nc1C
InChIInChI=1S/C23H26N4O/c1-15-16(2)26-22(17(3)25-15)12-24-20-11-23(28)27(14-20)13-19-9-6-8-18-7-4-5-10-21(18)19/h4-10,20,24H,11-14H2,1-3H3/t20-/m0/s1
InChIKeyXKAWMZUVFUYAQS-FQEVSTJZSA-N
XLogP3.45
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.49
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4S)-1-(naphthalen-1-ylmethyl)-4-[(3,5,6-trimethylpyrazin-2-yl)methylamino]pyrrolidin-2-one?
The IUPAC name of (4S)-1-(naphthalen-1-ylmethyl)-4-[(3,5,6-trimethylpyrazin-2-yl)methylamino]pyrrolidin-2-one (CID 25457556) is (4S)-1-(naphthalen-1-ylmethyl)-4-[(3,5,6-trimethylpyrazin-2-yl)methylamino]pyrrolidin-2-one.
What is the SMILES notation for (4S)-1-(naphthalen-1-ylmethyl)-4-[(3,5,6-trimethylpyrazin-2-yl)methylamino]pyrrolidin-2-one?
The canonical SMILES for (4S)-1-(naphthalen-1-ylmethyl)-4-[(3,5,6-trimethylpyrazin-2-yl)methylamino]pyrrolidin-2-one is Cc1nc(C)c(CN[C@H]2CC(=O)N(Cc3cccc4ccccc34)C2)nc1C.
What is the InChIKey of (4S)-1-(naphthalen-1-ylmethyl)-4-[(3,5,6-trimethylpyrazin-2-yl)methylamino]pyrrolidin-2-one?
The InChIKey is XKAWMZUVFUYAQS-FQEVSTJZSA-N. The full InChI is InChI=1S/C23H26N4O/c1-15-16(2)26-22(17(3)25-15)12-24-20-11-23(28)27(14-20)13-19-9-6-8-18-7-4-5-10-21(18)19/h4-10,20,24H,11-14H2,1-3H3/t20-/m0/s1.
What are the key properties of (4S)-1-(naphthalen-1-ylmethyl)-4-[(3,5,6-trimethylpyrazin-2-yl)methylamino]pyrrolidin-2-one?
(4S)-1-(naphthalen-1-ylmethyl)-4-[(3,5,6-trimethylpyrazin-2-yl)methylamino]pyrrolidin-2-one has a molecular weight of 374.49 g/mol, XLogP of 3.45, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-1-(naphthalen-1-ylmethyl)-4-[(3,5,6-trimethylpyrazin-2-yl)methylamino]pyrrolidin-2-one is sourced from PubChem (CID 25457556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).