N-[[1-(5-fluoro-2-pyridinyl)-3-hydroxypiperidin-3-yl]methyl]-N,6-dimethylpyridine-3-carboxamide

C19H23FN4O2 — CID 110124139

IUPACN-[[1-(5-fluoro-2-pyridinyl)-3-hydroxypiperidin-3-yl]methyl]-N,6-dimethylpyridine-3-carboxamide
SMILESCc1ccc(C(=O)N(C)CC2(O)CCCN(c3ccc(F)cn3)C2)cn1
InChIInChI=1S/C19H23FN4O2/c1-14-4-5-15(10-21-14)18(25)23(2)12-19(26)8-3-9-24(13-19)17-7-6-16(20)11-22-17/h4-7,10-11,26H,3,8-9,12-13H2,1-2H3
InChIKeyGVOMIRQYKKJVTA-UHFFFAOYSA-N
MW358.42 g/mol
LogP2.03
Rot. Bonds4

About N-[[1-(5-fluoro-2-pyridinyl)-3-hydroxypiperidin-3-yl]methyl]-N,6-dimethylpyridine-3-carboxamide

N-[[1-(5-fluoro-2-pyridinyl)-3-hydroxypiperidin-3-yl]methyl]-N,6-dimethylpyridine-3-carboxamide (PubChem CID 110124139) has the molecular formula C19H23FN4O2 and a molecular weight of 358.42 g/mol. Its IUPAC name is N-[[1-(5-fluoro-2-pyridinyl)-3-hydroxypiperidin-3-yl]methyl]-N,6-dimethylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[[1-(5-fluoro-2-pyridinyl)-3-hydroxypiperidin-3-yl]methyl]-N,6-dimethylpyridine-3-carboxamide
PubChem CID110124139
Molecular FormulaC19H23FN4O2
Molecular Weight358.42 g/mol
Exact Mass358.18
IUPAC NameN-[[1-(5-fluoro-2-pyridinyl)-3-hydroxypiperidin-3-yl]methyl]-N,6-dimethylpyridine-3-carboxamide
SMILESCc1ccc(C(=O)N(C)CC2(O)CCCN(c3ccc(F)cn3)C2)cn1
InChIInChI=1S/C19H23FN4O2/c1-14-4-5-15(10-21-14)18(25)23(2)12-19(26)8-3-9-24(13-19)17-7-6-16(20)11-22-17/h4-7,10-11,26H,3,8-9,12-13H2,1-2H3
InChIKeyGVOMIRQYKKJVTA-UHFFFAOYSA-N
XLogP2.03
TPSA69.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.42
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(5-fluoro-2-pyridinyl)-3-hydroxypiperidin-3-yl]methyl]-N,6-dimethylpyridine-3-carboxamide?
The IUPAC name of N-[[1-(5-fluoro-2-pyridinyl)-3-hydroxypiperidin-3-yl]methyl]-N,6-dimethylpyridine-3-carboxamide (CID 110124139) is N-[[1-(5-fluoro-2-pyridinyl)-3-hydroxypiperidin-3-yl]methyl]-N,6-dimethylpyridine-3-carboxamide.
What is the SMILES notation for N-[[1-(5-fluoro-2-pyridinyl)-3-hydroxypiperidin-3-yl]methyl]-N,6-dimethylpyridine-3-carboxamide?
The canonical SMILES for N-[[1-(5-fluoro-2-pyridinyl)-3-hydroxypiperidin-3-yl]methyl]-N,6-dimethylpyridine-3-carboxamide is Cc1ccc(C(=O)N(C)CC2(O)CCCN(c3ccc(F)cn3)C2)cn1.
What is the InChIKey of N-[[1-(5-fluoro-2-pyridinyl)-3-hydroxypiperidin-3-yl]methyl]-N,6-dimethylpyridine-3-carboxamide?
The InChIKey is GVOMIRQYKKJVTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN4O2/c1-14-4-5-15(10-21-14)18(25)23(2)12-19(26)8-3-9-24(13-19)17-7-6-16(20)11-22-17/h4-7,10-11,26H,3,8-9,12-13H2,1-2H3.
What are the key properties of N-[[1-(5-fluoro-2-pyridinyl)-3-hydroxypiperidin-3-yl]methyl]-N,6-dimethylpyridine-3-carboxamide?
N-[[1-(5-fluoro-2-pyridinyl)-3-hydroxypiperidin-3-yl]methyl]-N,6-dimethylpyridine-3-carboxamide has a molecular weight of 358.42 g/mol, XLogP of 2.03, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(5-fluoro-2-pyridinyl)-3-hydroxypiperidin-3-yl]methyl]-N,6-dimethylpyridine-3-carboxamide is sourced from PubChem (CID 110124139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).