N-cycloheptyl-2-(4-hydroxypiperidin-1-yl)-6-(3-methylphenyl)pyridine-3-carboxamide

C25H33N3O2 — CID 26334023

IUPACN-cycloheptyl-2-(4-hydroxypiperidin-1-yl)-6-(3-methylphenyl)pyridine-3-carboxamide
SMILESCc1cccc(-c2ccc(C(=O)NC3CCCCCC3)c(N3CCC(O)CC3)n2)c1
InChIInChI=1S/C25H33N3O2/c1-18-7-6-8-19(17-18)23-12-11-22(24(27-23)28-15-13-21(29)14-16-28)25(30)26-20-9-4-2-3-5-10-20/h6-8,11-12,17,20-21,29H,2-5,9-10,13-16H2,1H3,(H,26,30)
InChIKeyVWTPNAQAWXOZGN-UHFFFAOYSA-N
MW407.56 g/mol
LogP4.47
Rot. Bonds4

About N-cycloheptyl-2-(4-hydroxypiperidin-1-yl)-6-(3-methylphenyl)pyridine-3-carboxamide

N-cycloheptyl-2-(4-hydroxypiperidin-1-yl)-6-(3-methylphenyl)pyridine-3-carboxamide (PubChem CID 26334023) has the molecular formula C25H33N3O2 and a molecular weight of 407.56 g/mol. Its IUPAC name is N-cycloheptyl-2-(4-hydroxypiperidin-1-yl)-6-(3-methylphenyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-cycloheptyl-2-(4-hydroxypiperidin-1-yl)-6-(3-methylphenyl)pyridine-3-carboxamide
PubChem CID26334023
Molecular FormulaC25H33N3O2
Molecular Weight407.56 g/mol
Exact Mass407.26
IUPAC NameN-cycloheptyl-2-(4-hydroxypiperidin-1-yl)-6-(3-methylphenyl)pyridine-3-carboxamide
SMILESCc1cccc(-c2ccc(C(=O)NC3CCCCCC3)c(N3CCC(O)CC3)n2)c1
InChIInChI=1S/C25H33N3O2/c1-18-7-6-8-19(17-18)23-12-11-22(24(27-23)28-15-13-21(29)14-16-28)25(30)26-20-9-4-2-3-5-10-20/h6-8,11-12,17,20-21,29H,2-5,9-10,13-16H2,1H3,(H,26,30)
InChIKeyVWTPNAQAWXOZGN-UHFFFAOYSA-N
XLogP4.47
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.56
LogP ≤ 54.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-2-(4-hydroxypiperidin-1-yl)-6-(3-methylphenyl)pyridine-3-carboxamide?
The IUPAC name of N-cycloheptyl-2-(4-hydroxypiperidin-1-yl)-6-(3-methylphenyl)pyridine-3-carboxamide (CID 26334023) is N-cycloheptyl-2-(4-hydroxypiperidin-1-yl)-6-(3-methylphenyl)pyridine-3-carboxamide.
What is the SMILES notation for N-cycloheptyl-2-(4-hydroxypiperidin-1-yl)-6-(3-methylphenyl)pyridine-3-carboxamide?
The canonical SMILES for N-cycloheptyl-2-(4-hydroxypiperidin-1-yl)-6-(3-methylphenyl)pyridine-3-carboxamide is Cc1cccc(-c2ccc(C(=O)NC3CCCCCC3)c(N3CCC(O)CC3)n2)c1.
What is the InChIKey of N-cycloheptyl-2-(4-hydroxypiperidin-1-yl)-6-(3-methylphenyl)pyridine-3-carboxamide?
The InChIKey is VWTPNAQAWXOZGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33N3O2/c1-18-7-6-8-19(17-18)23-12-11-22(24(27-23)28-15-13-21(29)14-16-28)25(30)26-20-9-4-2-3-5-10-20/h6-8,11-12,17,20-21,29H,2-5,9-10,13-16H2,1H3,(H,26,30).
What are the key properties of N-cycloheptyl-2-(4-hydroxypiperidin-1-yl)-6-(3-methylphenyl)pyridine-3-carboxamide?
N-cycloheptyl-2-(4-hydroxypiperidin-1-yl)-6-(3-methylphenyl)pyridine-3-carboxamide has a molecular weight of 407.56 g/mol, XLogP of 4.47, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-2-(4-hydroxypiperidin-1-yl)-6-(3-methylphenyl)pyridine-3-carboxamide is sourced from PubChem (CID 26334023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).