cyclohexane;N-[2-[[1-(diethylamino)-3,3-dimethyl-1-oxobutan-2-yl]amino]-2-oxoethyl]pyrazine-2-carboxamide

C23H39N5O3 — CID 144746975

IUPACcyclohexane;N-[2-[[1-(diethylamino)-3,3-dimethyl-1-oxobutan-2-yl]amino]-2-oxoethyl]pyrazine-2-carboxamide
SMILESC1CCCCC1.CCN(CC)C(=O)C(NC(=O)CNC(=O)c1cnccn1)C(C)(C)C
InChIInChI=1S/C17H27N5O3.C6H12/c1-6-22(7-2)16(25)14(17(3,4)5)21-13(23)11-20-15(24)12-10-18-8-9-19-12;1-2-4-6-5-3-1/h8-10,14H,6-7,11H2,1-5H3,(H,20,24)(H,21,23);1-6H2
InChIKeyDYPWXVXRMHZYSF-UHFFFAOYSA-N
MW433.60 g/mol
LogP2.95
Rot. Bonds7

About cyclohexane;N-[2-[[1-(diethylamino)-3,3-dimethyl-1-oxobutan-2-yl]amino]-2-oxoethyl]pyrazine-2-carboxamide

cyclohexane;N-[2-[[1-(diethylamino)-3,3-dimethyl-1-oxobutan-2-yl]amino]-2-oxoethyl]pyrazine-2-carboxamide (PubChem CID 144746975) has the molecular formula C23H39N5O3 and a molecular weight of 433.60 g/mol. Its IUPAC name is cyclohexane;N-[2-[[1-(diethylamino)-3,3-dimethyl-1-oxobutan-2-yl]amino]-2-oxoethyl]pyrazine-2-carboxamide.

Molecular Properties

Compound Namecyclohexane;N-[2-[[1-(diethylamino)-3,3-dimethyl-1-oxobutan-2-yl]amino]-2-oxoethyl]pyrazine-2-carboxamide
PubChem CID144746975
Molecular FormulaC23H39N5O3
Molecular Weight433.60 g/mol
Exact Mass433.31
IUPAC Namecyclohexane;N-[2-[[1-(diethylamino)-3,3-dimethyl-1-oxobutan-2-yl]amino]-2-oxoethyl]pyrazine-2-carboxamide
SMILESC1CCCCC1.CCN(CC)C(=O)C(NC(=O)CNC(=O)c1cnccn1)C(C)(C)C
InChIInChI=1S/C17H27N5O3.C6H12/c1-6-22(7-2)16(25)14(17(3,4)5)21-13(23)11-20-15(24)12-10-18-8-9-19-12;1-2-4-6-5-3-1/h8-10,14H,6-7,11H2,1-5H3,(H,20,24)(H,21,23);1-6H2
InChIKeyDYPWXVXRMHZYSF-UHFFFAOYSA-N
XLogP2.95
TPSA104.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.60
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze cyclohexane;N-[2-[[1-(diethylamino)-3,3-dimethyl-1-oxobutan-2-yl]amino]-2-oxoethyl]pyrazine-2-carboxamide with MolForge

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Related Compounds

N-[2-[[1-[[2-[(3-amino-2,3-dioxopropyl)amino]-2-oxoethyl]-[(2-ethyl-1,3-dithian-2-yl)methyl]amino]-3,3-dimethyl-1-oxobutan-2-yl]amino]-2-oxoethyl]pyrazine-2-carboxamide
CID 142990536
N-[2-[(3,3-dimethyl-1-oxobutan-2-yl)amino]-2-oxoethyl]pyrazine-2-carboxamide
CID 142990533
N-[2-[[1-[(3R)-2-carbamoyl-3-cyclohexylpyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-2-oxoethyl]pyrazine-2-carboxamide
CID 142953194
2-[[2-(pyrazine-2-carbonylamino)acetyl]amino]propanoic acid
CID 14101217
N-[2-[[(2S)-1-amino-1-oxobutan-2-yl]amino]-2-oxoethyl]pyrazine-2-carboxamide
CID 70297294
N-(2,2-dimethylpropyl)pyrazine-2-carboxamide
CID 21060489
N-[3-(diethylamino)-3-oxopropyl]pyrazine-2-carboxamide
CID 51088431
N-[2-[[(1R)-1-hydroxy-3-methylbutyl]amino]-2-oxoethyl]pyrazine-2-carboxamide
CID 144733404
N-(2-methylprop-2-enyl)pyrazine-2-carboxamide
CID 114618266
2-[[(2S)-2-[[(2S)-2-cyclohexyl-2-(pyrazine-2-carbonylamino)acetyl]amino]-3,3-dimethylbutanoyl]-(cyclopropylmethyl)amino]acetic acid
CID 59009554
N-[2-[[1-[(3S)-3-butyl-2-[[3-(cyclopropylamino)-2,3-dioxopropyl]carbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-2-oxoethyl]pyrazine-2-carboxamide;cyclohexane;ethane;propane
CID 144562780
N-(3-methyl-2-oxobutyl)pyrazine-2-carboxamide
CID 103874912

Frequently Asked Questions

What is the IUPAC name of cyclohexane;N-[2-[[1-(diethylamino)-3,3-dimethyl-1-oxobutan-2-yl]amino]-2-oxoethyl]pyrazine-2-carboxamide?
The IUPAC name of cyclohexane;N-[2-[[1-(diethylamino)-3,3-dimethyl-1-oxobutan-2-yl]amino]-2-oxoethyl]pyrazine-2-carboxamide (CID 144746975) is cyclohexane;N-[2-[[1-(diethylamino)-3,3-dimethyl-1-oxobutan-2-yl]amino]-2-oxoethyl]pyrazine-2-carboxamide.
What is the SMILES notation for cyclohexane;N-[2-[[1-(diethylamino)-3,3-dimethyl-1-oxobutan-2-yl]amino]-2-oxoethyl]pyrazine-2-carboxamide?
The canonical SMILES for cyclohexane;N-[2-[[1-(diethylamino)-3,3-dimethyl-1-oxobutan-2-yl]amino]-2-oxoethyl]pyrazine-2-carboxamide is C1CCCCC1.CCN(CC)C(=O)C(NC(=O)CNC(=O)c1cnccn1)C(C)(C)C.
What is the InChIKey of cyclohexane;N-[2-[[1-(diethylamino)-3,3-dimethyl-1-oxobutan-2-yl]amino]-2-oxoethyl]pyrazine-2-carboxamide?
The InChIKey is DYPWXVXRMHZYSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N5O3.C6H12/c1-6-22(7-2)16(25)14(17(3,4)5)21-13(23)11-20-15(24)12-10-18-8-9-19-12;1-2-4-6-5-3-1/h8-10,14H,6-7,11H2,1-5H3,(H,20,24)(H,21,23);1-6H2.
What are the key properties of cyclohexane;N-[2-[[1-(diethylamino)-3,3-dimethyl-1-oxobutan-2-yl]amino]-2-oxoethyl]pyrazine-2-carboxamide?
cyclohexane;N-[2-[[1-(diethylamino)-3,3-dimethyl-1-oxobutan-2-yl]amino]-2-oxoethyl]pyrazine-2-carboxamide has a molecular weight of 433.60 g/mol, XLogP of 2.95, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexane;N-[2-[[1-(diethylamino)-3,3-dimethyl-1-oxobutan-2-yl]amino]-2-oxoethyl]pyrazine-2-carboxamide is sourced from PubChem (CID 144746975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).