N-[4-oxo-4-(pyrazin-2-ylamino)butan-2-yl]cyclohexanecarboxamide

C15H22N4O2 — CID 75523798

IUPACN-[4-oxo-4-(pyrazin-2-ylamino)butan-2-yl]cyclohexanecarboxamide
SMILESCC(CC(=O)Nc1cnccn1)NC(=O)C1CCCCC1
InChIInChI=1S/C15H22N4O2/c1-11(18-15(21)12-5-3-2-4-6-12)9-14(20)19-13-10-16-7-8-17-13/h7-8,10-12H,2-6,9H2,1H3,(H,18,21)(H,17,19,20)
InChIKeyRXLMYHAZKYXIHY-UHFFFAOYSA-N
MW290.37 g/mol
LogP1.89
Rot. Bonds5

About N-[4-oxo-4-(pyrazin-2-ylamino)butan-2-yl]cyclohexanecarboxamide

N-[4-oxo-4-(pyrazin-2-ylamino)butan-2-yl]cyclohexanecarboxamide (PubChem CID 75523798) has the molecular formula C15H22N4O2 and a molecular weight of 290.37 g/mol. Its IUPAC name is N-[4-oxo-4-(pyrazin-2-ylamino)butan-2-yl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[4-oxo-4-(pyrazin-2-ylamino)butan-2-yl]cyclohexanecarboxamide
PubChem CID75523798
Molecular FormulaC15H22N4O2
Molecular Weight290.37 g/mol
Exact Mass290.17
IUPAC NameN-[4-oxo-4-(pyrazin-2-ylamino)butan-2-yl]cyclohexanecarboxamide
SMILESCC(CC(=O)Nc1cnccn1)NC(=O)C1CCCCC1
InChIInChI=1S/C15H22N4O2/c1-11(18-15(21)12-5-3-2-4-6-12)9-14(20)19-13-10-16-7-8-17-13/h7-8,10-12H,2-6,9H2,1H3,(H,18,21)(H,17,19,20)
InChIKeyRXLMYHAZKYXIHY-UHFFFAOYSA-N
XLogP1.89
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-3-(cyclohexanecarbonylamino)butanoic acid
CID 51885508
N-[4-[4-(2-hydroxyethyl)anilino]-4-oxobutan-2-yl]cyclopentanecarboxamide
CID 75425431
N-pyrazin-2-ylpiperidine-3-carboxamide
CID 43616168
2-(2-hydroxy-1-methylpiperidin-1-ium-1-yl)-N-pyrazin-2-ylacetamide
CID 87800788
N-[(2R)-4-(4-chloro-2-hydroxyanilino)-4-oxobutan-2-yl]cyclopentanecarboxamide
CID 124589488
N-[(2R)-4-oxo-4-[[(1S)-1-(1H-1,2,4-triazol-5-yl)propyl]amino]butan-2-yl]cyclopentanecarboxamide
CID 95981542
N-pyrazin-2-ylpiperidine-4-carboxamide
CID 43616167
methyl (3S)-3-[[(3R)-3-(cyclopentanecarbonylamino)butanoyl]amino]butanoate
CID 95609074
(2R)-2-[3-(cyclopentanecarbonylamino)butanoylamino]propanoic acid
CID 119244671
N-[4-[2-(methylamino)propylamino]-4-oxobutan-2-yl]cyclohexanecarboxamide
CID 120831062
N-[4-[2-(methylamino)ethylamino]-4-oxobutan-2-yl]cyclohexanecarboxamide;hydrochloride
CID 119500807
N-[4-[[1-(aminomethyl)cyclopentyl]amino]-4-oxobutan-2-yl]cyclohexanecarboxamide
CID 119565580

Frequently Asked Questions

What is the IUPAC name of N-[4-oxo-4-(pyrazin-2-ylamino)butan-2-yl]cyclohexanecarboxamide?
The IUPAC name of N-[4-oxo-4-(pyrazin-2-ylamino)butan-2-yl]cyclohexanecarboxamide (CID 75523798) is N-[4-oxo-4-(pyrazin-2-ylamino)butan-2-yl]cyclohexanecarboxamide.
What is the SMILES notation for N-[4-oxo-4-(pyrazin-2-ylamino)butan-2-yl]cyclohexanecarboxamide?
The canonical SMILES for N-[4-oxo-4-(pyrazin-2-ylamino)butan-2-yl]cyclohexanecarboxamide is CC(CC(=O)Nc1cnccn1)NC(=O)C1CCCCC1.
What is the InChIKey of N-[4-oxo-4-(pyrazin-2-ylamino)butan-2-yl]cyclohexanecarboxamide?
The InChIKey is RXLMYHAZKYXIHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O2/c1-11(18-15(21)12-5-3-2-4-6-12)9-14(20)19-13-10-16-7-8-17-13/h7-8,10-12H,2-6,9H2,1H3,(H,18,21)(H,17,19,20).
What are the key properties of N-[4-oxo-4-(pyrazin-2-ylamino)butan-2-yl]cyclohexanecarboxamide?
N-[4-oxo-4-(pyrazin-2-ylamino)butan-2-yl]cyclohexanecarboxamide has a molecular weight of 290.37 g/mol, XLogP of 1.89, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-oxo-4-(pyrazin-2-ylamino)butan-2-yl]cyclohexanecarboxamide is sourced from PubChem (CID 75523798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).