(4R)-1-(2,2-dimethylpropyl)-4-[[6-(morpholine-4-carbonyl)pyrazin-2-yl]amino]pyrrolidin-2-one

C18H27N5O3 — CID 95713753

IUPAC(4R)-1-(2,2-dimethylpropyl)-4-[[6-(morpholine-4-carbonyl)pyrazin-2-yl]amino]pyrrolidin-2-one
SMILESCC(C)(C)CN1C[C@H](Nc2cncc(C(=O)N3CCOCC3)n2)CC1=O
InChIInChI=1S/C18H27N5O3/c1-18(2,3)12-23-11-13(8-16(23)24)20-15-10-19-9-14(21-15)17(25)22-4-6-26-7-5-22/h9-10,13H,4-8,11-12H2,1-3H3,(H,20,21)/t13-/m1/s1
InChIKeyLDWYWRGDGAAPHF-CYBMUJFWSA-N
MW361.45 g/mol
LogP1.01
Rot. Bonds4

About (4R)-1-(2,2-dimethylpropyl)-4-[[6-(morpholine-4-carbonyl)pyrazin-2-yl]amino]pyrrolidin-2-one

(4R)-1-(2,2-dimethylpropyl)-4-[[6-(morpholine-4-carbonyl)pyrazin-2-yl]amino]pyrrolidin-2-one (PubChem CID 95713753) has the molecular formula C18H27N5O3 and a molecular weight of 361.45 g/mol. Its IUPAC name is (4R)-1-(2,2-dimethylpropyl)-4-[[6-(morpholine-4-carbonyl)pyrazin-2-yl]amino]pyrrolidin-2-one.

Molecular Properties

Compound Name(4R)-1-(2,2-dimethylpropyl)-4-[[6-(morpholine-4-carbonyl)pyrazin-2-yl]amino]pyrrolidin-2-one
PubChem CID95713753
Molecular FormulaC18H27N5O3
Molecular Weight361.45 g/mol
Exact Mass361.21
IUPAC Name(4R)-1-(2,2-dimethylpropyl)-4-[[6-(morpholine-4-carbonyl)pyrazin-2-yl]amino]pyrrolidin-2-one
SMILESCC(C)(C)CN1C[C@H](Nc2cncc(C(=O)N3CCOCC3)n2)CC1=O
InChIInChI=1S/C18H27N5O3/c1-18(2,3)12-23-11-13(8-16(23)24)20-15-10-19-9-14(21-15)17(25)22-4-6-26-7-5-22/h9-10,13H,4-8,11-12H2,1-3H3,(H,20,21)/t13-/m1/s1
InChIKeyLDWYWRGDGAAPHF-CYBMUJFWSA-N
XLogP1.01
TPSA87.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (4R)-1-(2,2-dimethylpropyl)-4-[[6-(morpholine-4-carbonyl)pyrazin-2-yl]amino]pyrrolidin-2-one with MolForge

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Related Compounds

morpholin-4-yl-[6-[2-(oxan-3-yl)ethylamino]pyrazin-2-yl]methanone
CID 122568453
N-[(3S)-1-(2,2-dimethylpropyl)-5-oxopyrrolidin-3-yl]-5-ethyl-1,3-oxazole-4-carboxamide
CID 25485689
1-tert-butyl-4-[(6-chloropyrazin-2-yl)amino]pyrrolidin-2-one
CID 133342299
2-[4-[[6-(pyrrolidine-1-carbonyl)pyrazin-2-yl]amino]piperidin-1-yl]acetic acid
CID 135092980
(4,4-dimethylpiperidin-1-yl)-[6-(methylamino)pyrazin-2-yl]methanone
CID 114035906
[6-[(2-ethyl-3,5-dimethyl-1H-indol-7-yl)methylamino]pyrazin-2-yl]-morpholin-4-ylmethanone
CID 56861740
N-cyclopropyl-4-(2,2-dimethylpropyl)-5-hydroxy-2-[[5-(morpholine-4-carbonyl)pyrazin-2-yl]amino]-7-oxo-1,2,3,3a-tetrahydropyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 171664836
(6-chloropyrazin-2-yl)-(1,4-oxazepan-4-yl)methanone
CID 106551253
[6-(ethylamino)-2-pyridinyl]-morpholin-4-ylmethanone
CID 62239087
1-[3-[[6-(morpholine-4-carbonyl)pyrazin-2-yl]methyl]piperidin-1-yl]ethanone
CID 110257663
[6-[(3R,4R)-3-hydroxy-4-(hydroxymethyl)piperidin-1-yl]pyrazin-2-yl]-morpholin-4-ylmethanone
CID 155498445
[6-(1-methylpyrazol-4-yl)pyrazin-2-yl]-morpholin-4-ylmethanone
CID 122560717

Frequently Asked Questions

What is the IUPAC name of (4R)-1-(2,2-dimethylpropyl)-4-[[6-(morpholine-4-carbonyl)pyrazin-2-yl]amino]pyrrolidin-2-one?
The IUPAC name of (4R)-1-(2,2-dimethylpropyl)-4-[[6-(morpholine-4-carbonyl)pyrazin-2-yl]amino]pyrrolidin-2-one (CID 95713753) is (4R)-1-(2,2-dimethylpropyl)-4-[[6-(morpholine-4-carbonyl)pyrazin-2-yl]amino]pyrrolidin-2-one.
What is the SMILES notation for (4R)-1-(2,2-dimethylpropyl)-4-[[6-(morpholine-4-carbonyl)pyrazin-2-yl]amino]pyrrolidin-2-one?
The canonical SMILES for (4R)-1-(2,2-dimethylpropyl)-4-[[6-(morpholine-4-carbonyl)pyrazin-2-yl]amino]pyrrolidin-2-one is CC(C)(C)CN1C[C@H](Nc2cncc(C(=O)N3CCOCC3)n2)CC1=O.
What is the InChIKey of (4R)-1-(2,2-dimethylpropyl)-4-[[6-(morpholine-4-carbonyl)pyrazin-2-yl]amino]pyrrolidin-2-one?
The InChIKey is LDWYWRGDGAAPHF-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H27N5O3/c1-18(2,3)12-23-11-13(8-16(23)24)20-15-10-19-9-14(21-15)17(25)22-4-6-26-7-5-22/h9-10,13H,4-8,11-12H2,1-3H3,(H,20,21)/t13-/m1/s1.
What are the key properties of (4R)-1-(2,2-dimethylpropyl)-4-[[6-(morpholine-4-carbonyl)pyrazin-2-yl]amino]pyrrolidin-2-one?
(4R)-1-(2,2-dimethylpropyl)-4-[[6-(morpholine-4-carbonyl)pyrazin-2-yl]amino]pyrrolidin-2-one has a molecular weight of 361.45 g/mol, XLogP of 1.01, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-1-(2,2-dimethylpropyl)-4-[[6-(morpholine-4-carbonyl)pyrazin-2-yl]amino]pyrrolidin-2-one is sourced from PubChem (CID 95713753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).