2-(cyclohexylmethoxy)-4-[5-(1-methylpyrazol-4-yl)-3-pyridinyl]benzamide

C23H26N4O2 — CID 154726322

IUPAC2-(cyclohexylmethoxy)-4-[5-(1-methylpyrazol-4-yl)-3-pyridinyl]benzamide
SMILESCn1cc(-c2cncc(-c3ccc(C(N)=O)c(OCC4CCCCC4)c3)c2)cn1
InChIInChI=1S/C23H26N4O2/c1-27-14-20(13-26-27)19-9-18(11-25-12-19)17-7-8-21(23(24)28)22(10-17)29-15-16-5-3-2-4-6-16/h7-14,16H,2-6,15H2,1H3,(H2,24,28)
InChIKeyGVUSXSICAJDBKN-UHFFFAOYSA-N
MW390.49 g/mol
LogP4.21
Rot. Bonds6

About 2-(cyclohexylmethoxy)-4-[5-(1-methylpyrazol-4-yl)-3-pyridinyl]benzamide

2-(cyclohexylmethoxy)-4-[5-(1-methylpyrazol-4-yl)-3-pyridinyl]benzamide (PubChem CID 154726322) has the molecular formula C23H26N4O2 and a molecular weight of 390.49 g/mol. Its IUPAC name is 2-(cyclohexylmethoxy)-4-[5-(1-methylpyrazol-4-yl)-3-pyridinyl]benzamide.

Molecular Properties

Compound Name2-(cyclohexylmethoxy)-4-[5-(1-methylpyrazol-4-yl)-3-pyridinyl]benzamide
PubChem CID154726322
Molecular FormulaC23H26N4O2
Molecular Weight390.49 g/mol
Exact Mass390.21
IUPAC Name2-(cyclohexylmethoxy)-4-[5-(1-methylpyrazol-4-yl)-3-pyridinyl]benzamide
SMILESCn1cc(-c2cncc(-c3ccc(C(N)=O)c(OCC4CCCCC4)c3)c2)cn1
InChIInChI=1S/C23H26N4O2/c1-27-14-20(13-26-27)19-9-18(11-25-12-19)17-7-8-21(23(24)28)22(10-17)29-15-16-5-3-2-4-6-16/h7-14,16H,2-6,15H2,1H3,(H2,24,28)
InChIKeyGVUSXSICAJDBKN-UHFFFAOYSA-N
XLogP4.21
TPSA83.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.49
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexylmethoxy)-4-[5-(1-methylpyrazol-4-yl)-3-pyridinyl]benzamide?
The IUPAC name of 2-(cyclohexylmethoxy)-4-[5-(1-methylpyrazol-4-yl)-3-pyridinyl]benzamide (CID 154726322) is 2-(cyclohexylmethoxy)-4-[5-(1-methylpyrazol-4-yl)-3-pyridinyl]benzamide.
What is the SMILES notation for 2-(cyclohexylmethoxy)-4-[5-(1-methylpyrazol-4-yl)-3-pyridinyl]benzamide?
The canonical SMILES for 2-(cyclohexylmethoxy)-4-[5-(1-methylpyrazol-4-yl)-3-pyridinyl]benzamide is Cn1cc(-c2cncc(-c3ccc(C(N)=O)c(OCC4CCCCC4)c3)c2)cn1.
What is the InChIKey of 2-(cyclohexylmethoxy)-4-[5-(1-methylpyrazol-4-yl)-3-pyridinyl]benzamide?
The InChIKey is GVUSXSICAJDBKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O2/c1-27-14-20(13-26-27)19-9-18(11-25-12-19)17-7-8-21(23(24)28)22(10-17)29-15-16-5-3-2-4-6-16/h7-14,16H,2-6,15H2,1H3,(H2,24,28).
What are the key properties of 2-(cyclohexylmethoxy)-4-[5-(1-methylpyrazol-4-yl)-3-pyridinyl]benzamide?
2-(cyclohexylmethoxy)-4-[5-(1-methylpyrazol-4-yl)-3-pyridinyl]benzamide has a molecular weight of 390.49 g/mol, XLogP of 4.21, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexylmethoxy)-4-[5-(1-methylpyrazol-4-yl)-3-pyridinyl]benzamide is sourced from PubChem (CID 154726322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).