5-[(2-cyclohexyloxy-4-pyridinyl)methylcarbamoyl]pyrazine-2-carboxylic acid

C18H20N4O4 — CID 120690264

IUPAC5-[(2-cyclohexyloxy-4-pyridinyl)methylcarbamoyl]pyrazine-2-carboxylic acid
SMILESO=C(O)c1cnc(C(=O)NCc2ccnc(OC3CCCCC3)c2)cn1
InChIInChI=1S/C18H20N4O4/c23-17(14-10-21-15(11-20-14)18(24)25)22-9-12-6-7-19-16(8-12)26-13-4-2-1-3-5-13/h6-8,10-11,13H,1-5,9H2,(H,22,23)(H,24,25)
InChIKeyNUORSPKTMIVCCN-UHFFFAOYSA-N
MW356.38 g/mol
LogP2.21
Rot. Bonds6

About 5-[(2-cyclohexyloxy-4-pyridinyl)methylcarbamoyl]pyrazine-2-carboxylic acid

5-[(2-cyclohexyloxy-4-pyridinyl)methylcarbamoyl]pyrazine-2-carboxylic acid (PubChem CID 120690264) has the molecular formula C18H20N4O4 and a molecular weight of 356.38 g/mol. Its IUPAC name is 5-[(2-cyclohexyloxy-4-pyridinyl)methylcarbamoyl]pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name5-[(2-cyclohexyloxy-4-pyridinyl)methylcarbamoyl]pyrazine-2-carboxylic acid
PubChem CID120690264
Molecular FormulaC18H20N4O4
Molecular Weight356.38 g/mol
Exact Mass356.15
IUPAC Name5-[(2-cyclohexyloxy-4-pyridinyl)methylcarbamoyl]pyrazine-2-carboxylic acid
SMILESO=C(O)c1cnc(C(=O)NCc2ccnc(OC3CCCCC3)c2)cn1
InChIInChI=1S/C18H20N4O4/c23-17(14-10-21-15(11-20-14)18(24)25)22-9-12-6-7-19-16(8-12)26-13-4-2-1-3-5-13/h6-8,10-11,13H,1-5,9H2,(H,22,23)(H,24,25)
InChIKeyNUORSPKTMIVCCN-UHFFFAOYSA-N
XLogP2.21
TPSA114.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.38
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[(2-cyclohexyloxy-4-pyridinyl)methylcarbamoyl]pyrazine-2-carboxylic acid?
The IUPAC name of 5-[(2-cyclohexyloxy-4-pyridinyl)methylcarbamoyl]pyrazine-2-carboxylic acid (CID 120690264) is 5-[(2-cyclohexyloxy-4-pyridinyl)methylcarbamoyl]pyrazine-2-carboxylic acid.
What is the SMILES notation for 5-[(2-cyclohexyloxy-4-pyridinyl)methylcarbamoyl]pyrazine-2-carboxylic acid?
The canonical SMILES for 5-[(2-cyclohexyloxy-4-pyridinyl)methylcarbamoyl]pyrazine-2-carboxylic acid is O=C(O)c1cnc(C(=O)NCc2ccnc(OC3CCCCC3)c2)cn1.
What is the InChIKey of 5-[(2-cyclohexyloxy-4-pyridinyl)methylcarbamoyl]pyrazine-2-carboxylic acid?
The InChIKey is NUORSPKTMIVCCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O4/c23-17(14-10-21-15(11-20-14)18(24)25)22-9-12-6-7-19-16(8-12)26-13-4-2-1-3-5-13/h6-8,10-11,13H,1-5,9H2,(H,22,23)(H,24,25).
What are the key properties of 5-[(2-cyclohexyloxy-4-pyridinyl)methylcarbamoyl]pyrazine-2-carboxylic acid?
5-[(2-cyclohexyloxy-4-pyridinyl)methylcarbamoyl]pyrazine-2-carboxylic acid has a molecular weight of 356.38 g/mol, XLogP of 2.21, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-cyclohexyloxy-4-pyridinyl)methylcarbamoyl]pyrazine-2-carboxylic acid is sourced from PubChem (CID 120690264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).