N-[1-cyclohexyl-2-[[2-(2-methylpyrrolidin-1-yl)-2-oxoethyl]amino]-2-oxoethyl]-1-methyl-2H-pyrazine-3-carboxamide;ethane;3-formamido-2-oxoheptanamide;2-methylpropane;propane

C40H77N7O6 — CID 143315579

IUPACN-[1-cyclohexyl-2-[[2-(2-methylpyrrolidin-1-yl)-2-oxoethyl]amino]-2-oxoethyl]-1-methyl-2H-pyrazine-3-carboxamide;ethane;3-formamido-2-oxoheptanamide;2-methylpropane;propane
SMILESCC.CC.CC(C)C.CC1CCCN1C(=O)CNC(=O)C(NC(=O)C1=NC=CN(C)C1)C1CCCCC1.CCC.CCCCC(NC=O)C(=O)C(N)=O
InChIInChI=1S/C21H33N5O3.C8H14N2O3.C4H10.C3H8.2C2H6/c1-15-7-6-11-26(15)18(27)13-23-21(29)19(16-8-4-3-5-9-16)24-20(28)17-14-25(2)12-10-22-17;1-2-3-4-6(10-5-11)7(12)8(9)13;1-4(2)3;1-3-2;2*1-2/h10,12,15-16,19H,3-9,11,13-14H2,1-2H3,(H,23,29)(H,24,28);5-6H,2-4H2,1H3,(H2,9,13)(H,10,11);4H,1-3H3;3H2,1-2H3;2*1-2H3
InChIKeyMNIOUANQQALIOU-UHFFFAOYSA-N
MW752.10 g/mol
LogP5.51
Rot. Bonds13

About N-[1-cyclohexyl-2-[[2-(2-methylpyrrolidin-1-yl)-2-oxoethyl]amino]-2-oxoethyl]-1-methyl-2H-pyrazine-3-carboxamide;ethane;3-formamido-2-oxoheptanamide;2-methylpropane;propane

N-[1-cyclohexyl-2-[[2-(2-methylpyrrolidin-1-yl)-2-oxoethyl]amino]-2-oxoethyl]-1-methyl-2H-pyrazine-3-carboxamide;ethane;3-formamido-2-oxoheptanamide;2-methylpropane;propane (PubChem CID 143315579) has the molecular formula C40H77N7O6 and a molecular weight of 752.10 g/mol. Its IUPAC name is N-[1-cyclohexyl-2-[[2-(2-methylpyrrolidin-1-yl)-2-oxoethyl]amino]-2-oxoethyl]-1-methyl-2H-pyrazine-3-carboxamide;ethane;3-formamido-2-oxoheptanamide;2-methylpropane;propane.

Molecular Properties

Compound NameN-[1-cyclohexyl-2-[[2-(2-methylpyrrolidin-1-yl)-2-oxoethyl]amino]-2-oxoethyl]-1-methyl-2H-pyrazine-3-carboxamide;ethane;3-formamido-2-oxoheptanamide;2-methylpropane;propane
PubChem CID143315579
Molecular FormulaC40H77N7O6
Molecular Weight752.10 g/mol
Exact Mass751.59
IUPAC NameN-[1-cyclohexyl-2-[[2-(2-methylpyrrolidin-1-yl)-2-oxoethyl]amino]-2-oxoethyl]-1-methyl-2H-pyrazine-3-carboxamide;ethane;3-formamido-2-oxoheptanamide;2-methylpropane;propane
SMILESCC.CC.CC(C)C.CC1CCCN1C(=O)CNC(=O)C(NC(=O)C1=NC=CN(C)C1)C1CCCCC1.CCC.CCCCC(NC=O)C(=O)C(N)=O
InChIInChI=1S/C21H33N5O3.C8H14N2O3.C4H10.C3H8.2C2H6/c1-15-7-6-11-26(15)18(27)13-23-21(29)19(16-8-4-3-5-9-16)24-20(28)17-14-25(2)12-10-22-17;1-2-3-4-6(10-5-11)7(12)8(9)13;1-4(2)3;1-3-2;2*1-2/h10,12,15-16,19H,3-9,11,13-14H2,1-2H3,(H,23,29)(H,24,28);5-6H,2-4H2,1H3,(H2,9,13)(H,10,11);4H,1-3H3;3H2,1-2H3;2*1-2H3
InChIKeyMNIOUANQQALIOU-UHFFFAOYSA-N
XLogP5.51
TPSA183.37 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds13
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500752.10
LogP ≤ 55.51
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

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-[1-cyclohexyl-2-[[2-(2-methylpyrrolidin-1-yl)-2-oxoethyl]amino]-2-oxoethyl]pyrazine-2-carboxamide
CID 143063997
1-[2-[[2-cyclohexyl-2-(pyridine-2-carbonylamino)acetyl]amino]acetyl]pyrrolidine-2-carboxylic acid;ethane;2-methylpropane
CID 143064024
2-methyl-N-[2-(2-methylpyrrolidin-1-yl)-2-oxoethyl]propanamide
CID 145388256
2-amino-1-(2-methylpyrrolidin-1-yl)ethanone;(Z)-2-formamidonon-3-enethioic S-acid
CID 143625603
2-(carbamoylamino)-N-[2-(cycloheptylamino)ethyl]hexanamide;hydrochloride
CID 119619625
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
propan-2-yl N-[2-[(2S)-2-(1,2-dioxohexan-3-ylcarbamoyl)pyrrolidin-1-yl]-2-oxoethyl]carbamate
CID 143350762
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
tert-butyl 2-[[2-[2-[(4-amino-1-cyclopropyl-3,4-dioxobutan-2-yl)carbamoyl]pyrrolidin-1-yl]-1-cyclohexyl-2-oxoethyl]carbamoylamino]acetate;methanethiol;2-methylpropane
CID 143101961
butane;3-methylpentan-3-yl N-[2-[2-[(1-amino-5-methyl-1,2-dioxohexan-3-yl)carbamoyl]pyrrolidin-1-yl]-1-cyclohexyl-2-oxoethyl]carbamate;propane
CID 142268339
N-[1-cyclopropyl-4-(methylamino)-3,4-dioxobutan-2-yl]-1-[2-(2-methylpropanoylamino)acetyl]pyrrolidine-2-carboxamide;2-methylpropane;propane
CID 165393708

Frequently Asked Questions

What is the IUPAC name of N-[1-cyclohexyl-2-[[2-(2-methylpyrrolidin-1-yl)-2-oxoethyl]amino]-2-oxoethyl]-1-methyl-2H-pyrazine-3-carboxamide;ethane;3-formamido-2-oxoheptanamide;2-methylpropane;propane?
The IUPAC name of N-[1-cyclohexyl-2-[[2-(2-methylpyrrolidin-1-yl)-2-oxoethyl]amino]-2-oxoethyl]-1-methyl-2H-pyrazine-3-carboxamide;ethane;3-formamido-2-oxoheptanamide;2-methylpropane;propane (CID 143315579) is N-[1-cyclohexyl-2-[[2-(2-methylpyrrolidin-1-yl)-2-oxoethyl]amino]-2-oxoethyl]-1-methyl-2H-pyrazine-3-carboxamide;ethane;3-formamido-2-oxoheptanamide;2-methylpropane;propane.
What is the SMILES notation for N-[1-cyclohexyl-2-[[2-(2-methylpyrrolidin-1-yl)-2-oxoethyl]amino]-2-oxoethyl]-1-methyl-2H-pyrazine-3-carboxamide;ethane;3-formamido-2-oxoheptanamide;2-methylpropane;propane?
The canonical SMILES for N-[1-cyclohexyl-2-[[2-(2-methylpyrrolidin-1-yl)-2-oxoethyl]amino]-2-oxoethyl]-1-methyl-2H-pyrazine-3-carboxamide;ethane;3-formamido-2-oxoheptanamide;2-methylpropane;propane is CC.CC.CC(C)C.CC1CCCN1C(=O)CNC(=O)C(NC(=O)C1=NC=CN(C)C1)C1CCCCC1.CCC.CCCCC(NC=O)C(=O)C(N)=O.
What is the InChIKey of N-[1-cyclohexyl-2-[[2-(2-methylpyrrolidin-1-yl)-2-oxoethyl]amino]-2-oxoethyl]-1-methyl-2H-pyrazine-3-carboxamide;ethane;3-formamido-2-oxoheptanamide;2-methylpropane;propane?
The InChIKey is MNIOUANQQALIOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H33N5O3.C8H14N2O3.C4H10.C3H8.2C2H6/c1-15-7-6-11-26(15)18(27)13-23-21(29)19(16-8-4-3-5-9-16)24-20(28)17-14-25(2)12-10-22-17;1-2-3-4-6(10-5-11)7(12)8(9)13;1-4(2)3;1-3-2;2*1-2/h10,12,15-16,19H,3-9,11,13-14H2,1-2H3,(H,23,29)(H,24,28);5-6H,2-4H2,1H3,(H2,9,13)(H,10,11);4H,1-3H3;3H2,1-2H3;2*1-2H3.
What are the key properties of N-[1-cyclohexyl-2-[[2-(2-methylpyrrolidin-1-yl)-2-oxoethyl]amino]-2-oxoethyl]-1-methyl-2H-pyrazine-3-carboxamide;ethane;3-formamido-2-oxoheptanamide;2-methylpropane;propane?
N-[1-cyclohexyl-2-[[2-(2-methylpyrrolidin-1-yl)-2-oxoethyl]amino]-2-oxoethyl]-1-methyl-2H-pyrazine-3-carboxamide;ethane;3-formamido-2-oxoheptanamide;2-methylpropane;propane has a molecular weight of 752.10 g/mol, XLogP of 5.51, 13 rotatable bonds, 4 hydrogen bond donors, and 8 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]-1-methyl-2H-pyrazine-3-carboxamide;ethane;3-formamido-2-oxoheptanamide;2-methylpropane;propane is sourced from PubChem (CID 143315579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).