1-[(4-ethyl-3-oxopyrazin-2-yl)amino]-4-methylcyclohexane-1-carboxylic acid

C14H21N3O3 — CID 62939437

IUPAC1-[(4-ethyl-3-oxopyrazin-2-yl)amino]-4-methylcyclohexane-1-carboxylic acid
SMILESCCn1ccnc(NC2(C(=O)O)CCC(C)CC2)c1=O
InChIInChI=1S/C14H21N3O3/c1-3-17-9-8-15-11(12(17)18)16-14(13(19)20)6-4-10(2)5-7-14/h8-10H,3-7H2,1-2H3,(H,15,16)(H,19,20)
InChIKeyHRDGBVBABQWUPR-UHFFFAOYSA-N
MW279.34 g/mol
LogP1.71
Rot. Bonds4

About 1-[(4-ethyl-3-oxopyrazin-2-yl)amino]-4-methylcyclohexane-1-carboxylic acid

1-[(4-ethyl-3-oxopyrazin-2-yl)amino]-4-methylcyclohexane-1-carboxylic acid (PubChem CID 62939437) has the molecular formula C14H21N3O3 and a molecular weight of 279.34 g/mol. Its IUPAC name is 1-[(4-ethyl-3-oxopyrazin-2-yl)amino]-4-methylcyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(4-ethyl-3-oxopyrazin-2-yl)amino]-4-methylcyclohexane-1-carboxylic acid
PubChem CID62939437
Molecular FormulaC14H21N3O3
Molecular Weight279.34 g/mol
Exact Mass279.16
IUPAC Name1-[(4-ethyl-3-oxopyrazin-2-yl)amino]-4-methylcyclohexane-1-carboxylic acid
SMILESCCn1ccnc(NC2(C(=O)O)CCC(C)CC2)c1=O
InChIInChI=1S/C14H21N3O3/c1-3-17-9-8-15-11(12(17)18)16-14(13(19)20)6-4-10(2)5-7-14/h8-10H,3-7H2,1-2H3,(H,15,16)(H,19,20)
InChIKeyHRDGBVBABQWUPR-UHFFFAOYSA-N
XLogP1.71
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-Methyl-1-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]cyclohexane-1-carboxylic acid
CID 43360589
4-Methyl-1-[(4-methyl-3-oxopyrazin-2-yl)amino]cyclohexane-1-carboxylic acid
CID 55132729
3-[(4-Ethyl-3-oxopyrazin-2-yl)amino]cyclohexane-1-carboxylic acid
CID 55146915
1-Ethyl-3-[[1-(hydroxymethyl)-4-methylcyclohexyl]amino]pyrazin-2-one
CID 55156229
1-[(3-Oxo-4-propylpyrazin-2-yl)amino]cyclopentane-1-carboxylic acid
CID 55157172
3-[[1-(Hydroxymethyl)-4-methylcyclohexyl]amino]-1-propan-2-ylpyrazin-2-one
CID 62928116
1-Cyclopropyl-3-[[1-(hydroxymethyl)-4-methylcyclohexyl]amino]pyrazin-2-one
CID 62928289
3-[[1-(Hydroxymethyl)-4-methylcyclohexyl]amino]-1-propylpyrazin-2-one
CID 62928290
3-[[1-(Hydroxymethyl)-4-methylcyclohexyl]amino]-1-(2-methylpropyl)pyrazin-2-one
CID 62928468
1-Tert-butyl-3-[[1-(hydroxymethyl)-4-methylcyclohexyl]amino]pyrazin-2-one
CID 62928469
2-Cyclohexyl-2-[(4-methyl-3-oxopyrazin-2-yl)amino]acetic acid
CID 62938320
4-[(4-Tert-butyl-3-oxopyrazin-2-yl)amino]cyclohexane-1-carboxylic acid
CID 62938376

Frequently Asked Questions

What is the IUPAC name of 1-[(4-ethyl-3-oxopyrazin-2-yl)amino]-4-methylcyclohexane-1-carboxylic acid?
The IUPAC name of 1-[(4-ethyl-3-oxopyrazin-2-yl)amino]-4-methylcyclohexane-1-carboxylic acid (CID 62939437) is 1-[(4-ethyl-3-oxopyrazin-2-yl)amino]-4-methylcyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-[(4-ethyl-3-oxopyrazin-2-yl)amino]-4-methylcyclohexane-1-carboxylic acid?
The canonical SMILES for 1-[(4-ethyl-3-oxopyrazin-2-yl)amino]-4-methylcyclohexane-1-carboxylic acid is CCn1ccnc(NC2(C(=O)O)CCC(C)CC2)c1=O.
What is the InChIKey of 1-[(4-ethyl-3-oxopyrazin-2-yl)amino]-4-methylcyclohexane-1-carboxylic acid?
The InChIKey is HRDGBVBABQWUPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3/c1-3-17-9-8-15-11(12(17)18)16-14(13(19)20)6-4-10(2)5-7-14/h8-10H,3-7H2,1-2H3,(H,15,16)(H,19,20).
What are the key properties of 1-[(4-ethyl-3-oxopyrazin-2-yl)amino]-4-methylcyclohexane-1-carboxylic acid?
1-[(4-ethyl-3-oxopyrazin-2-yl)amino]-4-methylcyclohexane-1-carboxylic acid has a molecular weight of 279.34 g/mol, XLogP of 1.71, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-ethyl-3-oxopyrazin-2-yl)amino]-4-methylcyclohexane-1-carboxylic acid is sourced from PubChem (CID 62939437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).