1-(3-chlorophenyl)-N-(6-oxo-1H-pyrazin-2-yl)cyclohexane-1-carboxamide

C17H18ClN3O2 — CID 166355507

IUPAC1-(3-chlorophenyl)-N-(6-oxo-1H-pyrazin-2-yl)cyclohexane-1-carboxamide
SMILESO=C(Nc1cncc(=O)[nH]1)C1(c2cccc(Cl)c2)CCCCC1
InChIInChI=1S/C17H18ClN3O2/c18-13-6-4-5-12(9-13)17(7-2-1-3-8-17)16(23)21-14-10-19-11-15(22)20-14/h4-6,9-11H,1-3,7-8H2,(H2,20,21,22,23)
InChIKeyMDGWSKZDKYLKSI-UHFFFAOYSA-N
MW331.80 g/mol
LogP3.26
Rot. Bonds3

About 1-(3-chlorophenyl)-N-(6-oxo-1H-pyrazin-2-yl)cyclohexane-1-carboxamide

1-(3-chlorophenyl)-N-(6-oxo-1H-pyrazin-2-yl)cyclohexane-1-carboxamide (PubChem CID 166355507) has the molecular formula C17H18ClN3O2 and a molecular weight of 331.80 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-N-(6-oxo-1H-pyrazin-2-yl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-(3-chlorophenyl)-N-(6-oxo-1H-pyrazin-2-yl)cyclohexane-1-carboxamide
PubChem CID166355507
Molecular FormulaC17H18ClN3O2
Molecular Weight331.80 g/mol
Exact Mass331.11
IUPAC Name1-(3-chlorophenyl)-N-(6-oxo-1H-pyrazin-2-yl)cyclohexane-1-carboxamide
SMILESO=C(Nc1cncc(=O)[nH]1)C1(c2cccc(Cl)c2)CCCCC1
InChIInChI=1S/C17H18ClN3O2/c18-13-6-4-5-12(9-13)17(7-2-1-3-8-17)16(23)21-14-10-19-11-15(22)20-14/h4-6,9-11H,1-3,7-8H2,(H2,20,21,22,23)
InChIKeyMDGWSKZDKYLKSI-UHFFFAOYSA-N
XLogP3.26
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.80
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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1-(3-chlorophenyl)-N-[4-(thiadiazol-4-yl)phenyl]cyclopentane-1-carboxamide
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1-(3-chlorophenyl)-N-piperidin-4-ylcyclohexane-1-carboxamide
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1-(3-chlorophenyl)-N-(1-pyridin-4-ylethyl)cyclohexane-1-carboxamide
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1-(3-chlorophenyl)-N-prop-2-ynylcyclohexane-1-carboxamide
CID 47150754
1-(3-chlorophenyl)-N-[4-[4-(hydroxymethyl)triazol-1-yl]phenyl]cyclohexane-1-carboxamide
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1-(3-chlorophenyl)-N-(6-imidazol-1-yl-3-pyridinyl)cyclopentane-1-carboxamide
CID 39406638
1-(3-chlorophenyl)cyclopentane-1-carboxylate
CID 26365664
[1-(3-chlorophenyl)cyclohexyl]-piperazin-1-ylmethanone
CID 119401673

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-N-(6-oxo-1H-pyrazin-2-yl)cyclohexane-1-carboxamide?
The IUPAC name of 1-(3-chlorophenyl)-N-(6-oxo-1H-pyrazin-2-yl)cyclohexane-1-carboxamide (CID 166355507) is 1-(3-chlorophenyl)-N-(6-oxo-1H-pyrazin-2-yl)cyclohexane-1-carboxamide.
What is the SMILES notation for 1-(3-chlorophenyl)-N-(6-oxo-1H-pyrazin-2-yl)cyclohexane-1-carboxamide?
The canonical SMILES for 1-(3-chlorophenyl)-N-(6-oxo-1H-pyrazin-2-yl)cyclohexane-1-carboxamide is O=C(Nc1cncc(=O)[nH]1)C1(c2cccc(Cl)c2)CCCCC1.
What is the InChIKey of 1-(3-chlorophenyl)-N-(6-oxo-1H-pyrazin-2-yl)cyclohexane-1-carboxamide?
The InChIKey is MDGWSKZDKYLKSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClN3O2/c18-13-6-4-5-12(9-13)17(7-2-1-3-8-17)16(23)21-14-10-19-11-15(22)20-14/h4-6,9-11H,1-3,7-8H2,(H2,20,21,22,23).
What are the key properties of 1-(3-chlorophenyl)-N-(6-oxo-1H-pyrazin-2-yl)cyclohexane-1-carboxamide?
1-(3-chlorophenyl)-N-(6-oxo-1H-pyrazin-2-yl)cyclohexane-1-carboxamide has a molecular weight of 331.80 g/mol, XLogP of 3.26, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-N-(6-oxo-1H-pyrazin-2-yl)cyclohexane-1-carboxamide is sourced from PubChem (CID 166355507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).