(2S)-2-formamido-3-(5-methoxy-3-oxo-1H-isoindol-2-yl)-N-methyl-2-pyrazin-2-ylpropanamide

C18H19N5O4 — CID 88973938

IUPAC(2S)-2-formamido-3-(5-methoxy-3-oxo-1H-isoindol-2-yl)-N-methyl-2-pyrazin-2-ylpropanamide
SMILESCNC(=O)[C@@](CN1Cc2ccc(OC)cc2C1=O)(NC=O)c1cnccn1
InChIInChI=1S/C18H19N5O4/c1-19-17(26)18(22-11-24,15-8-20-5-6-21-15)10-23-9-12-3-4-13(27-2)7-14(12)16(23)25/h3-8,11H,9-10H2,1-2H3,(H,19,26)(H,22,24)/t18-/m0/s1
InChIKeyIJRCLGWRILIZMY-SFHVURJKSA-N
MW369.38 g/mol
LogP-0.17
Rot. Bonds7

About (2S)-2-formamido-3-(5-methoxy-3-oxo-1H-isoindol-2-yl)-N-methyl-2-pyrazin-2-ylpropanamide

(2S)-2-formamido-3-(5-methoxy-3-oxo-1H-isoindol-2-yl)-N-methyl-2-pyrazin-2-ylpropanamide (PubChem CID 88973938) has the molecular formula C18H19N5O4 and a molecular weight of 369.38 g/mol. Its IUPAC name is (2S)-2-formamido-3-(5-methoxy-3-oxo-1H-isoindol-2-yl)-N-methyl-2-pyrazin-2-ylpropanamide.

Molecular Properties

Compound Name(2S)-2-formamido-3-(5-methoxy-3-oxo-1H-isoindol-2-yl)-N-methyl-2-pyrazin-2-ylpropanamide
PubChem CID88973938
Molecular FormulaC18H19N5O4
Molecular Weight369.38 g/mol
Exact Mass369.14
IUPAC Name(2S)-2-formamido-3-(5-methoxy-3-oxo-1H-isoindol-2-yl)-N-methyl-2-pyrazin-2-ylpropanamide
SMILESCNC(=O)[C@@](CN1Cc2ccc(OC)cc2C1=O)(NC=O)c1cnccn1
InChIInChI=1S/C18H19N5O4/c1-19-17(26)18(22-11-24,15-8-20-5-6-21-15)10-23-9-12-3-4-13(27-2)7-14(12)16(23)25/h3-8,11H,9-10H2,1-2H3,(H,19,26)(H,22,24)/t18-/m0/s1
InChIKeyIJRCLGWRILIZMY-SFHVURJKSA-N
XLogP-0.17
TPSA113.52 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.38
LogP ≤ 5-0.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

methyl (2S)-3-(5-methoxy-3-oxo-1H-isoindol-2-yl)-2-(methylamino)-2-(2H-triazol-4-yl)propanoate
CID 70792503
N-formyl-3-(5-methoxy-3-oxo-1H-isoindol-2-yl)-2-methyl-2-(6-pyridin-3-yl-3-pyridinyl)propanamide
CID 118927879
N-formyl-3-(5-methoxy-3-oxo-1H-isoindol-2-yl)-2-(methylamino)-2-(4-methylsulfinylphenyl)propanamide
CID 143512862
1-[(2R)-1-(5-methoxy-3-oxo-1H-isoindol-2-yl)-2-(1-methylpyrazol-4-yl)-3-oxopropan-2-yl]-3-methylurea
CID 89344272
2-(hydroxymethyl)-6-methoxy-3H-isoindol-1-one
CID 70313346
2-ethyl-6-methoxy-3H-isoindol-1-one;2-formamido-N-methyl-2-(1-methylimidazol-2-yl)acetamide
CID 143510643
(2S)-2-furo[3,2-c]pyridin-2-yl-2-hydroxy-3-(5-methoxy-3-oxo-1H-isoindol-2-yl)propanoic acid
CID 58523286
methyl 6-[(E,3S)-2-cyclopropyl-4-formamido-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-methyl-4-oxobut-1-enyl]-5-methylpyridine-3-carboxylate
CID 143989262
2-(iodomethyl)-6-methoxy-3H-isoindol-1-one
CID 70233754
methyl 2-(methoxycarbonylamino)-3-(7-methoxy-1-oxo-3,4-dihydroisoquinolin-2-yl)-2-pyridin-3-ylpropanoate
CID 71171989
N-[[(1S)-2-(5-methoxy-3-oxo-1H-isoindol-2-yl)-1-(1H-pyrazol-5-yl)ethyl]carbamoyl]formamide
CID 89205741
3-[(2R)-2-(carbamoylamino)-1-(5-methoxy-3-oxo-1H-isoindol-2-yl)-3-oxopropan-2-yl]-4-methylbenzamide
CID 89070279

Frequently Asked Questions

What is the IUPAC name of (2S)-2-formamido-3-(5-methoxy-3-oxo-1H-isoindol-2-yl)-N-methyl-2-pyrazin-2-ylpropanamide?
The IUPAC name of (2S)-2-formamido-3-(5-methoxy-3-oxo-1H-isoindol-2-yl)-N-methyl-2-pyrazin-2-ylpropanamide (CID 88973938) is (2S)-2-formamido-3-(5-methoxy-3-oxo-1H-isoindol-2-yl)-N-methyl-2-pyrazin-2-ylpropanamide.
What is the SMILES notation for (2S)-2-formamido-3-(5-methoxy-3-oxo-1H-isoindol-2-yl)-N-methyl-2-pyrazin-2-ylpropanamide?
The canonical SMILES for (2S)-2-formamido-3-(5-methoxy-3-oxo-1H-isoindol-2-yl)-N-methyl-2-pyrazin-2-ylpropanamide is CNC(=O)[C@@](CN1Cc2ccc(OC)cc2C1=O)(NC=O)c1cnccn1.
What is the InChIKey of (2S)-2-formamido-3-(5-methoxy-3-oxo-1H-isoindol-2-yl)-N-methyl-2-pyrazin-2-ylpropanamide?
The InChIKey is IJRCLGWRILIZMY-SFHVURJKSA-N. The full InChI is InChI=1S/C18H19N5O4/c1-19-17(26)18(22-11-24,15-8-20-5-6-21-15)10-23-9-12-3-4-13(27-2)7-14(12)16(23)25/h3-8,11H,9-10H2,1-2H3,(H,19,26)(H,22,24)/t18-/m0/s1.
What are the key properties of (2S)-2-formamido-3-(5-methoxy-3-oxo-1H-isoindol-2-yl)-N-methyl-2-pyrazin-2-ylpropanamide?
(2S)-2-formamido-3-(5-methoxy-3-oxo-1H-isoindol-2-yl)-N-methyl-2-pyrazin-2-ylpropanamide has a molecular weight of 369.38 g/mol, XLogP of -0.17, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-formamido-3-(5-methoxy-3-oxo-1H-isoindol-2-yl)-N-methyl-2-pyrazin-2-ylpropanamide is sourced from PubChem (CID 88973938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).