N-methyl-3-(3-oxo-1H-isoindol-2-yl)-N-(1-pyrazin-2-ylpropan-2-yl)propanamide

C19H22N4O2 — CID 91784909

IUPACN-methyl-3-(3-oxo-1H-isoindol-2-yl)-N-(1-pyrazin-2-ylpropan-2-yl)propanamide
SMILESCC(Cc1cnccn1)N(C)C(=O)CCN1Cc2ccccc2C1=O
InChIInChI=1S/C19H22N4O2/c1-14(11-16-12-20-8-9-21-16)22(2)18(24)7-10-23-13-15-5-3-4-6-17(15)19(23)25/h3-6,8-9,12,14H,7,10-11,13H2,1-2H3
InChIKeyFOBNBGSRCXLDSV-UHFFFAOYSA-N
MW338.41 g/mol
LogP1.91
Rot. Bonds6

About N-methyl-3-(3-oxo-1H-isoindol-2-yl)-N-(1-pyrazin-2-ylpropan-2-yl)propanamide

N-methyl-3-(3-oxo-1H-isoindol-2-yl)-N-(1-pyrazin-2-ylpropan-2-yl)propanamide (PubChem CID 91784909) has the molecular formula C19H22N4O2 and a molecular weight of 338.41 g/mol. Its IUPAC name is N-methyl-3-(3-oxo-1H-isoindol-2-yl)-N-(1-pyrazin-2-ylpropan-2-yl)propanamide.

Molecular Properties

Compound NameN-methyl-3-(3-oxo-1H-isoindol-2-yl)-N-(1-pyrazin-2-ylpropan-2-yl)propanamide
PubChem CID91784909
Molecular FormulaC19H22N4O2
Molecular Weight338.41 g/mol
Exact Mass338.17
IUPAC NameN-methyl-3-(3-oxo-1H-isoindol-2-yl)-N-(1-pyrazin-2-ylpropan-2-yl)propanamide
SMILESCC(Cc1cnccn1)N(C)C(=O)CCN1Cc2ccccc2C1=O
InChIInChI=1S/C19H22N4O2/c1-14(11-16-12-20-8-9-21-16)22(2)18(24)7-10-23-13-15-5-3-4-6-17(15)19(23)25/h3-6,8-9,12,14H,7,10-11,13H2,1-2H3
InChIKeyFOBNBGSRCXLDSV-UHFFFAOYSA-N
XLogP1.91
TPSA66.40 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(18F)MK-1312
CID 53316847
Phthalimide, N-3-pyridyl-
CID 167793
2-(2-(Pyridin-2-yl)ethyl)-1H-isoindole-1,3(2H)-dione
CID 231380
2-(Pyridin-3-ylmethyl)isoindoline-1,3-dione
CID 709455
1-(2-Methylpropyl)-3-pyridin-3-yliminoindol-2-one
CID 5050002
N-(2-{[(2-methylphenyl)carbonyl]amino}ethyl)pyrazine-2-carboxamide
CID 6498552
N-(3-{[(2-methylphenyl)carbonyl]amino}propyl)pyrazine-2-carboxamide
CID 6498580
2-[2-(2-methylbenzoyl)-1H-pyrrol-1-yl]-1-piperidino-1-ethanone
CID 20889313
6-(2-oxo-2-phenylethyl)-5H-pyrrolo[3,4-b]pyridine-5,7(6H)-dione
CID 852520
2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-N-(pyridin-3-yl)acetamide
CID 1147586
5-(1-(2-fluoropyridin-3-yl)-5-methyl-1H-1,2,3-triazol-4-yl)-2-isopropylisoindolin-1-one
CID 11325594
2-ethyl-5-(1-(2-fluoropyridin-3-yl)-5-methyl-1H-1,2,3-triazol-4-yl)isoindolin-1-one
CID 11772069

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-(3-oxo-1H-isoindol-2-yl)-N-(1-pyrazin-2-ylpropan-2-yl)propanamide?
The IUPAC name of N-methyl-3-(3-oxo-1H-isoindol-2-yl)-N-(1-pyrazin-2-ylpropan-2-yl)propanamide (CID 91784909) is N-methyl-3-(3-oxo-1H-isoindol-2-yl)-N-(1-pyrazin-2-ylpropan-2-yl)propanamide.
What is the SMILES notation for N-methyl-3-(3-oxo-1H-isoindol-2-yl)-N-(1-pyrazin-2-ylpropan-2-yl)propanamide?
The canonical SMILES for N-methyl-3-(3-oxo-1H-isoindol-2-yl)-N-(1-pyrazin-2-ylpropan-2-yl)propanamide is CC(Cc1cnccn1)N(C)C(=O)CCN1Cc2ccccc2C1=O.
What is the InChIKey of N-methyl-3-(3-oxo-1H-isoindol-2-yl)-N-(1-pyrazin-2-ylpropan-2-yl)propanamide?
The InChIKey is FOBNBGSRCXLDSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O2/c1-14(11-16-12-20-8-9-21-16)22(2)18(24)7-10-23-13-15-5-3-4-6-17(15)19(23)25/h3-6,8-9,12,14H,7,10-11,13H2,1-2H3.
What are the key properties of N-methyl-3-(3-oxo-1H-isoindol-2-yl)-N-(1-pyrazin-2-ylpropan-2-yl)propanamide?
N-methyl-3-(3-oxo-1H-isoindol-2-yl)-N-(1-pyrazin-2-ylpropan-2-yl)propanamide has a molecular weight of 338.41 g/mol, XLogP of 1.91, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-(3-oxo-1H-isoindol-2-yl)-N-(1-pyrazin-2-ylpropan-2-yl)propanamide is sourced from PubChem (CID 91784909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).