5-[4-(3-tert-butylcyclopentyl)piperazin-1-yl]-6-fluoro-N-(oxan-4-yl)pyridine-2-carboxamide

C24H37FN4O2 — CID 176964696

IUPAC5-[4-(3-tert-butylcyclopentyl)piperazin-1-yl]-6-fluoro-N-(oxan-4-yl)pyridine-2-carboxamide
SMILESCC(C)(C)C1CCC(N2CCN(c3ccc(C(=O)NC4CCOCC4)nc3F)CC2)C1
InChIInChI=1S/C24H37FN4O2/c1-24(2,3)17-4-5-19(16-17)28-10-12-29(13-11-28)21-7-6-20(27-22(21)25)23(30)26-18-8-14-31-15-9-18/h6-7,17-19H,4-5,8-16H2,1-3H3,(H,26,30)
InChIKeyDIKRKDLZBGUBNM-UHFFFAOYSA-N
MW432.58 g/mol
LogP3.47
Rot. Bonds4

About 5-[4-(3-tert-butylcyclopentyl)piperazin-1-yl]-6-fluoro-N-(oxan-4-yl)pyridine-2-carboxamide

5-[4-(3-tert-butylcyclopentyl)piperazin-1-yl]-6-fluoro-N-(oxan-4-yl)pyridine-2-carboxamide (PubChem CID 176964696) has the molecular formula C24H37FN4O2 and a molecular weight of 432.58 g/mol. Its IUPAC name is 5-[4-(3-tert-butylcyclopentyl)piperazin-1-yl]-6-fluoro-N-(oxan-4-yl)pyridine-2-carboxamide.

Molecular Properties

Compound Name5-[4-(3-tert-butylcyclopentyl)piperazin-1-yl]-6-fluoro-N-(oxan-4-yl)pyridine-2-carboxamide
PubChem CID176964696
Molecular FormulaC24H37FN4O2
Molecular Weight432.58 g/mol
Exact Mass432.29
IUPAC Name5-[4-(3-tert-butylcyclopentyl)piperazin-1-yl]-6-fluoro-N-(oxan-4-yl)pyridine-2-carboxamide
SMILESCC(C)(C)C1CCC(N2CCN(c3ccc(C(=O)NC4CCOCC4)nc3F)CC2)C1
InChIInChI=1S/C24H37FN4O2/c1-24(2,3)17-4-5-19(16-17)28-10-12-29(13-11-28)21-7-6-20(27-22(21)25)23(30)26-18-8-14-31-15-9-18/h6-7,17-19H,4-5,8-16H2,1-3H3,(H,26,30)
InChIKeyDIKRKDLZBGUBNM-UHFFFAOYSA-N
XLogP3.47
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.58
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[4-(3-tert-butylcyclopentyl)piperazin-1-yl]-6-fluoro-N-(oxan-4-yl)pyridine-2-carboxamide?
The IUPAC name of 5-[4-(3-tert-butylcyclopentyl)piperazin-1-yl]-6-fluoro-N-(oxan-4-yl)pyridine-2-carboxamide (CID 176964696) is 5-[4-(3-tert-butylcyclopentyl)piperazin-1-yl]-6-fluoro-N-(oxan-4-yl)pyridine-2-carboxamide.
What is the SMILES notation for 5-[4-(3-tert-butylcyclopentyl)piperazin-1-yl]-6-fluoro-N-(oxan-4-yl)pyridine-2-carboxamide?
The canonical SMILES for 5-[4-(3-tert-butylcyclopentyl)piperazin-1-yl]-6-fluoro-N-(oxan-4-yl)pyridine-2-carboxamide is CC(C)(C)C1CCC(N2CCN(c3ccc(C(=O)NC4CCOCC4)nc3F)CC2)C1.
What is the InChIKey of 5-[4-(3-tert-butylcyclopentyl)piperazin-1-yl]-6-fluoro-N-(oxan-4-yl)pyridine-2-carboxamide?
The InChIKey is DIKRKDLZBGUBNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H37FN4O2/c1-24(2,3)17-4-5-19(16-17)28-10-12-29(13-11-28)21-7-6-20(27-22(21)25)23(30)26-18-8-14-31-15-9-18/h6-7,17-19H,4-5,8-16H2,1-3H3,(H,26,30).
What are the key properties of 5-[4-(3-tert-butylcyclopentyl)piperazin-1-yl]-6-fluoro-N-(oxan-4-yl)pyridine-2-carboxamide?
5-[4-(3-tert-butylcyclopentyl)piperazin-1-yl]-6-fluoro-N-(oxan-4-yl)pyridine-2-carboxamide has a molecular weight of 432.58 g/mol, XLogP of 3.47, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(3-tert-butylcyclopentyl)piperazin-1-yl]-6-fluoro-N-(oxan-4-yl)pyridine-2-carboxamide is sourced from PubChem (CID 176964696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).