4-[(3-oxo-4-propan-2-ylpyrazin-2-yl)amino]cyclohexane-1-carboxamide

C14H22N4O2 — CID 62939180

IUPAC4-[(3-oxo-4-propan-2-ylpyrazin-2-yl)amino]cyclohexane-1-carboxamide
SMILESCC(C)n1ccnc(NC2CCC(C(N)=O)CC2)c1=O
InChIInChI=1S/C14H22N4O2/c1-9(2)18-8-7-16-13(14(18)20)17-11-5-3-10(4-6-11)12(15)19/h7-11H,3-6H2,1-2H3,(H2,15,19)(H,16,17)
InChIKeyDVCJNLUSNIHFPW-UHFFFAOYSA-N
MW278.36 g/mol
LogP1.28
Rot. Bonds4

About 4-[(3-oxo-4-propan-2-ylpyrazin-2-yl)amino]cyclohexane-1-carboxamide

4-[(3-oxo-4-propan-2-ylpyrazin-2-yl)amino]cyclohexane-1-carboxamide (PubChem CID 62939180) has the molecular formula C14H22N4O2 and a molecular weight of 278.36 g/mol. Its IUPAC name is 4-[(3-oxo-4-propan-2-ylpyrazin-2-yl)amino]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-[(3-oxo-4-propan-2-ylpyrazin-2-yl)amino]cyclohexane-1-carboxamide
PubChem CID62939180
Molecular FormulaC14H22N4O2
Molecular Weight278.36 g/mol
Exact Mass278.17
IUPAC Name4-[(3-oxo-4-propan-2-ylpyrazin-2-yl)amino]cyclohexane-1-carboxamide
SMILESCC(C)n1ccnc(NC2CCC(C(N)=O)CC2)c1=O
InChIInChI=1S/C14H22N4O2/c1-9(2)18-8-7-16-13(14(18)20)17-11-5-3-10(4-6-11)12(15)19/h7-11H,3-6H2,1-2H3,(H2,15,19)(H,16,17)
InChIKeyDVCJNLUSNIHFPW-UHFFFAOYSA-N
XLogP1.28
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(3-oxo-4-propan-2-ylpyrazin-2-yl)amino]cyclohexane-1-carboxamide?
The IUPAC name of 4-[(3-oxo-4-propan-2-ylpyrazin-2-yl)amino]cyclohexane-1-carboxamide (CID 62939180) is 4-[(3-oxo-4-propan-2-ylpyrazin-2-yl)amino]cyclohexane-1-carboxamide.
What is the SMILES notation for 4-[(3-oxo-4-propan-2-ylpyrazin-2-yl)amino]cyclohexane-1-carboxamide?
The canonical SMILES for 4-[(3-oxo-4-propan-2-ylpyrazin-2-yl)amino]cyclohexane-1-carboxamide is CC(C)n1ccnc(NC2CCC(C(N)=O)CC2)c1=O.
What is the InChIKey of 4-[(3-oxo-4-propan-2-ylpyrazin-2-yl)amino]cyclohexane-1-carboxamide?
The InChIKey is DVCJNLUSNIHFPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O2/c1-9(2)18-8-7-16-13(14(18)20)17-11-5-3-10(4-6-11)12(15)19/h7-11H,3-6H2,1-2H3,(H2,15,19)(H,16,17).
What are the key properties of 4-[(3-oxo-4-propan-2-ylpyrazin-2-yl)amino]cyclohexane-1-carboxamide?
4-[(3-oxo-4-propan-2-ylpyrazin-2-yl)amino]cyclohexane-1-carboxamide has a molecular weight of 278.36 g/mol, XLogP of 1.28, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-oxo-4-propan-2-ylpyrazin-2-yl)amino]cyclohexane-1-carboxamide is sourced from PubChem (CID 62939180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).