4-chloro-3-[5-[(2-cyclohexylethylamino)methyl]-2-pyridinyl]benzamide

C21H26ClN3O — CID 25216968

IUPAC4-chloro-3-[5-[(2-cyclohexylethylamino)methyl]-2-pyridinyl]benzamide
SMILESNC(=O)c1ccc(Cl)c(-c2ccc(CNCCC3CCCCC3)cn2)c1
InChIInChI=1S/C21H26ClN3O/c22-19-8-7-17(21(23)26)12-18(19)20-9-6-16(14-25-20)13-24-11-10-15-4-2-1-3-5-15/h6-9,12,14-15,24H,1-5,10-11,13H2,(H2,23,26)
InChIKeyRGEJUOFYOHTHFA-UHFFFAOYSA-N
MW371.91 g/mol
LogP4.56
Rot. Bonds7

About 4-chloro-3-[5-[(2-cyclohexylethylamino)methyl]-2-pyridinyl]benzamide

4-chloro-3-[5-[(2-cyclohexylethylamino)methyl]-2-pyridinyl]benzamide (PubChem CID 25216968) has the molecular formula C21H26ClN3O and a molecular weight of 371.91 g/mol. Its IUPAC name is 4-chloro-3-[5-[(2-cyclohexylethylamino)methyl]-2-pyridinyl]benzamide.

Molecular Properties

Compound Name4-chloro-3-[5-[(2-cyclohexylethylamino)methyl]-2-pyridinyl]benzamide
PubChem CID25216968
Molecular FormulaC21H26ClN3O
Molecular Weight371.91 g/mol
Exact Mass371.18
IUPAC Name4-chloro-3-[5-[(2-cyclohexylethylamino)methyl]-2-pyridinyl]benzamide
SMILESNC(=O)c1ccc(Cl)c(-c2ccc(CNCCC3CCCCC3)cn2)c1
InChIInChI=1S/C21H26ClN3O/c22-19-8-7-17(21(23)26)12-18(19)20-9-6-16(14-25-20)13-24-11-10-15-4-2-1-3-5-15/h6-9,12,14-15,24H,1-5,10-11,13H2,(H2,23,26)
InChIKeyRGEJUOFYOHTHFA-UHFFFAOYSA-N
XLogP4.56
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.91
LogP ≤ 54.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-[5-[(2-cyclohexylethylamino)methyl]-2-pyridinyl]benzamide?
The IUPAC name of 4-chloro-3-[5-[(2-cyclohexylethylamino)methyl]-2-pyridinyl]benzamide (CID 25216968) is 4-chloro-3-[5-[(2-cyclohexylethylamino)methyl]-2-pyridinyl]benzamide.
What is the SMILES notation for 4-chloro-3-[5-[(2-cyclohexylethylamino)methyl]-2-pyridinyl]benzamide?
The canonical SMILES for 4-chloro-3-[5-[(2-cyclohexylethylamino)methyl]-2-pyridinyl]benzamide is NC(=O)c1ccc(Cl)c(-c2ccc(CNCCC3CCCCC3)cn2)c1.
What is the InChIKey of 4-chloro-3-[5-[(2-cyclohexylethylamino)methyl]-2-pyridinyl]benzamide?
The InChIKey is RGEJUOFYOHTHFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26ClN3O/c22-19-8-7-17(21(23)26)12-18(19)20-9-6-16(14-25-20)13-24-11-10-15-4-2-1-3-5-15/h6-9,12,14-15,24H,1-5,10-11,13H2,(H2,23,26).
What are the key properties of 4-chloro-3-[5-[(2-cyclohexylethylamino)methyl]-2-pyridinyl]benzamide?
4-chloro-3-[5-[(2-cyclohexylethylamino)methyl]-2-pyridinyl]benzamide has a molecular weight of 371.91 g/mol, XLogP of 4.56, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-[5-[(2-cyclohexylethylamino)methyl]-2-pyridinyl]benzamide is sourced from PubChem (CID 25216968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).