N-[1-cyclohexyl-2-[[2-(2-methylpyrrolidin-1-yl)-2-oxoethyl]amino]-2-oxoethyl]pyrazine-2-carboxamide

C20H29N5O3 — CID 143063997

IUPACN-[1-cyclohexyl-2-[[2-(2-methylpyrrolidin-1-yl)-2-oxoethyl]amino]-2-oxoethyl]pyrazine-2-carboxamide
SMILESCC1CCCN1C(=O)CNC(=O)C(NC(=O)c1cnccn1)C1CCCCC1
InChIInChI=1S/C20H29N5O3/c1-14-6-5-11-25(14)17(26)13-23-20(28)18(15-7-3-2-4-8-15)24-19(27)16-12-21-9-10-22-16/h9-10,12,14-15,18H,2-8,11,13H2,1H3,(H,23,28)(H,24,27)
InChIKeyZWIOMQJFSYXXOB-UHFFFAOYSA-N
MW387.48 g/mol
LogP1.28
Rot. Bonds6

About N-[1-cyclohexyl-2-[[2-(2-methylpyrrolidin-1-yl)-2-oxoethyl]amino]-2-oxoethyl]pyrazine-2-carboxamide

N-[1-cyclohexyl-2-[[2-(2-methylpyrrolidin-1-yl)-2-oxoethyl]amino]-2-oxoethyl]pyrazine-2-carboxamide (PubChem CID 143063997) has the molecular formula C20H29N5O3 and a molecular weight of 387.48 g/mol. Its IUPAC name is N-[1-cyclohexyl-2-[[2-(2-methylpyrrolidin-1-yl)-2-oxoethyl]amino]-2-oxoethyl]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[1-cyclohexyl-2-[[2-(2-methylpyrrolidin-1-yl)-2-oxoethyl]amino]-2-oxoethyl]pyrazine-2-carboxamide
PubChem CID143063997
Molecular FormulaC20H29N5O3
Molecular Weight387.48 g/mol
Exact Mass387.23
IUPAC NameN-[1-cyclohexyl-2-[[2-(2-methylpyrrolidin-1-yl)-2-oxoethyl]amino]-2-oxoethyl]pyrazine-2-carboxamide
SMILESCC1CCCN1C(=O)CNC(=O)C(NC(=O)c1cnccn1)C1CCCCC1
InChIInChI=1S/C20H29N5O3/c1-14-6-5-11-25(14)17(26)13-23-20(28)18(15-7-3-2-4-8-15)24-19(27)16-12-21-9-10-22-16/h9-10,12,14-15,18H,2-8,11,13H2,1H3,(H,23,28)(H,24,27)
InChIKeyZWIOMQJFSYXXOB-UHFFFAOYSA-N
XLogP1.28
TPSA104.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.48
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[1-cyclohexyl-2-[[2-(2-methylpyrrolidin-1-yl)-2-oxoethyl]amino]-2-oxoethyl]pyrazine-2-carboxamide with MolForge

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Related Compounds

N-[2-[[2-[2-[(3-amino-2-hydroxy-3-oxopropyl)carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]amino]-1-cyclohexyl-2-oxoethyl]pyrazine-2-carboxamide
CID 143359859
N-[2-[[2-[2-[(1-amino-1,2-dioxoheptan-3-yl)carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]amino]-1-cyclohexyl-2-oxoethyl]pyrazine-2-carboxamide
CID 143064089
N-[(1S)-1-cyclohexyl-2-[[2-[(2S,3S)-2-[[(3S)-1-(cyclopropylamino)-2-hydroxy-1-oxohexan-3-yl]carbamoyl]-3-methylpyrrolidin-1-yl]-2-oxoethyl]amino]-2-oxoethyl]pyrazine-2-carboxamide
CID 143353887
1-[2-[[2-cyclohexyl-2-(pyridine-2-carbonylamino)acetyl]amino]acetyl]pyrrolidine-2-carboxylic acid;ethane;2-methylpropane
CID 143064024
2-[[(2S)-2-cyclohexyl-2-(pyrazine-2-carbonylamino)acetyl]amino]-3,3-dimethylbutanoic acid
CID 67395867
2-methyl-N-[2-(2-methylpyrrolidin-1-yl)-2-oxoethyl]propanamide
CID 145388256
N-[1-cyclohexyl-2-[[(2S)-3,3-dimethyl-1-oxo-1-[(1R,2R)-2,6,6-trimethyl-3-azabicyclo[3.1.0]hexan-3-yl]butan-2-yl]amino]-2-oxoethyl]pyrazine-2-carboxamide
CID 170035929
ethane;hexane;N-[1-(2-methylcyclohexyl)-2-oxo-2-[[2-oxo-2-[2-(2-oxopropylcarbamoyl)pyrrolidin-1-yl]ethyl]amino]ethyl]pyrazine-2-carboxamide;propane;N-prop-2-enylformamide
CID 143024951
2-cyclopropyl-2-(pyrazine-2-carbonylamino)acetic acid
CID 62695126
(2S)-2-[[3-cyclohexyl-3-(pyrazine-2-carbonylamino)prop-1-en-2-yl]amino]-3,3-dimethylpentanoic acid
CID 90269503
N-[(1S,4S)-4-tert-butyl-1-cyclohexyl-5-hydroxy-2-oxohex-5-enyl]pyrazine-2-carboxamide
CID 159024590
N-[(2R)-2-cyclohexyl-2-hydroxyethyl]pyrazine-2-carboxamide
CID 95292177

Frequently Asked Questions

What is the IUPAC name of N-[1-cyclohexyl-2-[[2-(2-methylpyrrolidin-1-yl)-2-oxoethyl]amino]-2-oxoethyl]pyrazine-2-carboxamide?
The IUPAC name of N-[1-cyclohexyl-2-[[2-(2-methylpyrrolidin-1-yl)-2-oxoethyl]amino]-2-oxoethyl]pyrazine-2-carboxamide (CID 143063997) is N-[1-cyclohexyl-2-[[2-(2-methylpyrrolidin-1-yl)-2-oxoethyl]amino]-2-oxoethyl]pyrazine-2-carboxamide.
What is the SMILES notation for N-[1-cyclohexyl-2-[[2-(2-methylpyrrolidin-1-yl)-2-oxoethyl]amino]-2-oxoethyl]pyrazine-2-carboxamide?
The canonical SMILES for N-[1-cyclohexyl-2-[[2-(2-methylpyrrolidin-1-yl)-2-oxoethyl]amino]-2-oxoethyl]pyrazine-2-carboxamide is CC1CCCN1C(=O)CNC(=O)C(NC(=O)c1cnccn1)C1CCCCC1.
What is the InChIKey of N-[1-cyclohexyl-2-[[2-(2-methylpyrrolidin-1-yl)-2-oxoethyl]amino]-2-oxoethyl]pyrazine-2-carboxamide?
The InChIKey is ZWIOMQJFSYXXOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N5O3/c1-14-6-5-11-25(14)17(26)13-23-20(28)18(15-7-3-2-4-8-15)24-19(27)16-12-21-9-10-22-16/h9-10,12,14-15,18H,2-8,11,13H2,1H3,(H,23,28)(H,24,27).
What are the key properties of N-[1-cyclohexyl-2-[[2-(2-methylpyrrolidin-1-yl)-2-oxoethyl]amino]-2-oxoethyl]pyrazine-2-carboxamide?
N-[1-cyclohexyl-2-[[2-(2-methylpyrrolidin-1-yl)-2-oxoethyl]amino]-2-oxoethyl]pyrazine-2-carboxamide has a molecular weight of 387.48 g/mol, XLogP of 1.28, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-cyclohexyl-2-[[2-(2-methylpyrrolidin-1-yl)-2-oxoethyl]amino]-2-oxoethyl]pyrazine-2-carboxamide is sourced from PubChem (CID 143063997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).