5-[4-(3-tert-butylpyrrolidin-1-yl)piperidin-1-yl]-3-fluoro-N-methylpyridine-2-carboxamide

C20H31FN4O — CID 176748212

IUPAC5-[4-(3-tert-butylpyrrolidin-1-yl)piperidin-1-yl]-3-fluoro-N-methylpyridine-2-carboxamide
SMILESCNC(=O)c1ncc(N2CCC(N3CCC(C(C)(C)C)C3)CC2)cc1F
InChIInChI=1S/C20H31FN4O/c1-20(2,3)14-5-8-25(13-14)15-6-9-24(10-7-15)16-11-17(21)18(23-12-16)19(26)22-4/h11-12,14-15H,5-10,13H2,1-4H3,(H,22,26)
InChIKeyUHBXVGFYVOVZMK-UHFFFAOYSA-N
MW362.49 g/mol
LogP2.92
Rot. Bonds3

About 5-[4-(3-tert-butylpyrrolidin-1-yl)piperidin-1-yl]-3-fluoro-N-methylpyridine-2-carboxamide

5-[4-(3-tert-butylpyrrolidin-1-yl)piperidin-1-yl]-3-fluoro-N-methylpyridine-2-carboxamide (PubChem CID 176748212) has the molecular formula C20H31FN4O and a molecular weight of 362.49 g/mol. Its IUPAC name is 5-[4-(3-tert-butylpyrrolidin-1-yl)piperidin-1-yl]-3-fluoro-N-methylpyridine-2-carboxamide.

Molecular Properties

Compound Name5-[4-(3-tert-butylpyrrolidin-1-yl)piperidin-1-yl]-3-fluoro-N-methylpyridine-2-carboxamide
PubChem CID176748212
Molecular FormulaC20H31FN4O
Molecular Weight362.49 g/mol
Exact Mass362.25
IUPAC Name5-[4-(3-tert-butylpyrrolidin-1-yl)piperidin-1-yl]-3-fluoro-N-methylpyridine-2-carboxamide
SMILESCNC(=O)c1ncc(N2CCC(N3CCC(C(C)(C)C)C3)CC2)cc1F
InChIInChI=1S/C20H31FN4O/c1-20(2,3)14-5-8-25(13-14)15-6-9-24(10-7-15)16-11-17(21)18(23-12-16)19(26)22-4/h11-12,14-15H,5-10,13H2,1-4H3,(H,22,26)
InChIKeyUHBXVGFYVOVZMK-UHFFFAOYSA-N
XLogP2.92
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.49
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[4-(3-tert-butylpyrrolidin-1-yl)piperidin-1-yl]-3-fluoro-N-methylpyridine-2-carboxamide?
The IUPAC name of 5-[4-(3-tert-butylpyrrolidin-1-yl)piperidin-1-yl]-3-fluoro-N-methylpyridine-2-carboxamide (CID 176748212) is 5-[4-(3-tert-butylpyrrolidin-1-yl)piperidin-1-yl]-3-fluoro-N-methylpyridine-2-carboxamide.
What is the SMILES notation for 5-[4-(3-tert-butylpyrrolidin-1-yl)piperidin-1-yl]-3-fluoro-N-methylpyridine-2-carboxamide?
The canonical SMILES for 5-[4-(3-tert-butylpyrrolidin-1-yl)piperidin-1-yl]-3-fluoro-N-methylpyridine-2-carboxamide is CNC(=O)c1ncc(N2CCC(N3CCC(C(C)(C)C)C3)CC2)cc1F.
What is the InChIKey of 5-[4-(3-tert-butylpyrrolidin-1-yl)piperidin-1-yl]-3-fluoro-N-methylpyridine-2-carboxamide?
The InChIKey is UHBXVGFYVOVZMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31FN4O/c1-20(2,3)14-5-8-25(13-14)15-6-9-24(10-7-15)16-11-17(21)18(23-12-16)19(26)22-4/h11-12,14-15H,5-10,13H2,1-4H3,(H,22,26).
What are the key properties of 5-[4-(3-tert-butylpyrrolidin-1-yl)piperidin-1-yl]-3-fluoro-N-methylpyridine-2-carboxamide?
5-[4-(3-tert-butylpyrrolidin-1-yl)piperidin-1-yl]-3-fluoro-N-methylpyridine-2-carboxamide has a molecular weight of 362.49 g/mol, XLogP of 2.92, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(3-tert-butylpyrrolidin-1-yl)piperidin-1-yl]-3-fluoro-N-methylpyridine-2-carboxamide is sourced from PubChem (CID 176748212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).