(2S)-N-[3-[[6-(3-amino-2-methylphenyl)-4-methyl-3-oxopyrazin-2-yl]amino]phenyl]oxolane-2-carboxamide

C23H25N5O3 — CID 143293324

IUPAC(2S)-N-[3-[[6-(3-amino-2-methylphenyl)-4-methyl-3-oxopyrazin-2-yl]amino]phenyl]oxolane-2-carboxamide
SMILESCc1c(N)cccc1-c1cn(C)c(=O)c(Nc2cccc(NC(=O)[C@@H]3CCCO3)c2)n1
InChIInChI=1S/C23H25N5O3/c1-14-17(8-4-9-18(14)24)19-13-28(2)23(30)21(27-19)25-15-6-3-7-16(12-15)26-22(29)20-10-5-11-31-20/h3-4,6-9,12-13,20H,5,10-11,24H2,1-2H3,(H,25,27)(H,26,29)/t20-/m0/s1
InChIKeyXGMYUPMPBAQQHC-FQEVSTJZSA-N
MW419.49 g/mol
LogP3.20
Rot. Bonds5

About (2S)-N-[3-[[6-(3-amino-2-methylphenyl)-4-methyl-3-oxopyrazin-2-yl]amino]phenyl]oxolane-2-carboxamide

(2S)-N-[3-[[6-(3-amino-2-methylphenyl)-4-methyl-3-oxopyrazin-2-yl]amino]phenyl]oxolane-2-carboxamide (PubChem CID 143293324) has the molecular formula C23H25N5O3 and a molecular weight of 419.49 g/mol. Its IUPAC name is (2S)-N-[3-[[6-(3-amino-2-methylphenyl)-4-methyl-3-oxopyrazin-2-yl]amino]phenyl]oxolane-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-[3-[[6-(3-amino-2-methylphenyl)-4-methyl-3-oxopyrazin-2-yl]amino]phenyl]oxolane-2-carboxamide
PubChem CID143293324
Molecular FormulaC23H25N5O3
Molecular Weight419.49 g/mol
Exact Mass419.20
IUPAC Name(2S)-N-[3-[[6-(3-amino-2-methylphenyl)-4-methyl-3-oxopyrazin-2-yl]amino]phenyl]oxolane-2-carboxamide
SMILESCc1c(N)cccc1-c1cn(C)c(=O)c(Nc2cccc(NC(=O)[C@@H]3CCCO3)c2)n1
InChIInChI=1S/C23H25N5O3/c1-14-17(8-4-9-18(14)24)19-13-28(2)23(30)21(27-19)25-15-6-3-7-16(12-15)26-22(29)20-10-5-11-31-20/h3-4,6-9,12-13,20H,5,10-11,24H2,1-2H3,(H,25,27)(H,26,29)/t20-/m0/s1
InChIKeyXGMYUPMPBAQQHC-FQEVSTJZSA-N
XLogP3.20
TPSA111.27 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.49
LogP ≤ 53.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze (2S)-N-[3-[[6-(3-amino-2-methylphenyl)-4-methyl-3-oxopyrazin-2-yl]amino]phenyl]oxolane-2-carboxamide with MolForge

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Related Compounds

3-(3-aminoanilino)-5-(3-amino-2-methylphenyl)-1-methylpyrazin-2-one
CID 68605567
3-[3-amino-4-(3-hydroxypyrrolidin-1-yl)anilino]-5-(3-amino-2-methylphenyl)-1-methylpyrazin-2-one
CID 143293259
N-[3-[[5-[3-[(4-tert-butylbenzoyl)amino]-2-methylphenyl]-1-methyl-2-oxo-3-pyridinyl]amino]phenyl]oxolane-2-carboxamide
CID 58729036
(2S)-N-[3-[[(2S)-oxolane-2-carbonyl]amino]phenyl]oxolane-2-carboxamide
CID 7027817
3-[3-amino-4-(1,1-dioxo-1,4-thiazinan-4-yl)anilino]-5-(3-amino-2-methylphenyl)-1-methylpyrazin-2-one
CID 143293167
5-(3-amino-2-methylphenyl)-3-[4-[(2R)-1,4-dimethyl-3-oxopiperazin-2-yl]anilino]-1-methylpyrazin-2-one
CID 118728357
N-[3-[[6-(2,3-dimethylphenyl)-4-methyl-3-oxopyrazin-2-yl]amino]phenyl]-2-ethoxyacetamide
CID 143646336
5-(3-amino-2-fluorophenyl)-3-[3-amino-4-(morpholine-4-carbonyl)anilino]-1-methylpyrazin-2-one
CID 68607099
(2R)-N-[3-(cyclopropanecarbonylamino)phenyl]oxolane-2-carboxamide
CID 38324677
ethyl 3-[[(2R)-oxolane-2-carbonyl]amino]benzoate
CID 2169884
N-[4-[[6-[3-[(4-tert-butylbenzoyl)amino]-2-methylphenyl]-4-methyl-3-oxopyrazin-2-yl]amino]phenyl]oxolane-3-carboxamide
CID 66895543
3-[6-[3-amino-4-(3-hydroxypyrrolidine-1-carbonyl)anilino]-4-methyl-5-oxopyrazin-2-yl]-2-methylbenzamide
CID 68604445

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[3-[[6-(3-amino-2-methylphenyl)-4-methyl-3-oxopyrazin-2-yl]amino]phenyl]oxolane-2-carboxamide?
The IUPAC name of (2S)-N-[3-[[6-(3-amino-2-methylphenyl)-4-methyl-3-oxopyrazin-2-yl]amino]phenyl]oxolane-2-carboxamide (CID 143293324) is (2S)-N-[3-[[6-(3-amino-2-methylphenyl)-4-methyl-3-oxopyrazin-2-yl]amino]phenyl]oxolane-2-carboxamide.
What is the SMILES notation for (2S)-N-[3-[[6-(3-amino-2-methylphenyl)-4-methyl-3-oxopyrazin-2-yl]amino]phenyl]oxolane-2-carboxamide?
The canonical SMILES for (2S)-N-[3-[[6-(3-amino-2-methylphenyl)-4-methyl-3-oxopyrazin-2-yl]amino]phenyl]oxolane-2-carboxamide is Cc1c(N)cccc1-c1cn(C)c(=O)c(Nc2cccc(NC(=O)[C@@H]3CCCO3)c2)n1.
What is the InChIKey of (2S)-N-[3-[[6-(3-amino-2-methylphenyl)-4-methyl-3-oxopyrazin-2-yl]amino]phenyl]oxolane-2-carboxamide?
The InChIKey is XGMYUPMPBAQQHC-FQEVSTJZSA-N. The full InChI is InChI=1S/C23H25N5O3/c1-14-17(8-4-9-18(14)24)19-13-28(2)23(30)21(27-19)25-15-6-3-7-16(12-15)26-22(29)20-10-5-11-31-20/h3-4,6-9,12-13,20H,5,10-11,24H2,1-2H3,(H,25,27)(H,26,29)/t20-/m0/s1.
What are the key properties of (2S)-N-[3-[[6-(3-amino-2-methylphenyl)-4-methyl-3-oxopyrazin-2-yl]amino]phenyl]oxolane-2-carboxamide?
(2S)-N-[3-[[6-(3-amino-2-methylphenyl)-4-methyl-3-oxopyrazin-2-yl]amino]phenyl]oxolane-2-carboxamide has a molecular weight of 419.49 g/mol, XLogP of 3.20, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[3-[[6-(3-amino-2-methylphenyl)-4-methyl-3-oxopyrazin-2-yl]amino]phenyl]oxolane-2-carboxamide is sourced from PubChem (CID 143293324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).