N-[[(3R)-3-hydroxy-1-pyridin-2-ylpiperidin-3-yl]methyl]-N-methylthiophene-3-carboxamide

C17H21N3O2S — CID 124996231

IUPACN-[[(3R)-3-hydroxy-1-pyridin-2-ylpiperidin-3-yl]methyl]-N-methylthiophene-3-carboxamide
SMILESCN(C[C@@]1(O)CCCN(c2ccccn2)C1)C(=O)c1ccsc1
InChIInChI=1S/C17H21N3O2S/c1-19(16(21)14-6-10-23-11-14)12-17(22)7-4-9-20(13-17)15-5-2-3-8-18-15/h2-3,5-6,8,10-11,22H,4,7,9,12-13H2,1H3/t17-/m0/s1
InChIKeyQRQBEBSFZBVILX-KRWDZBQOSA-N
MW331.44 g/mol
LogP2.25
Rot. Bonds4

About N-[[(3R)-3-hydroxy-1-pyridin-2-ylpiperidin-3-yl]methyl]-N-methylthiophene-3-carboxamide

N-[[(3R)-3-hydroxy-1-pyridin-2-ylpiperidin-3-yl]methyl]-N-methylthiophene-3-carboxamide (PubChem CID 124996231) has the molecular formula C17H21N3O2S and a molecular weight of 331.44 g/mol. Its IUPAC name is N-[[(3R)-3-hydroxy-1-pyridin-2-ylpiperidin-3-yl]methyl]-N-methylthiophene-3-carboxamide.

Molecular Properties

Compound NameN-[[(3R)-3-hydroxy-1-pyridin-2-ylpiperidin-3-yl]methyl]-N-methylthiophene-3-carboxamide
PubChem CID124996231
Molecular FormulaC17H21N3O2S
Molecular Weight331.44 g/mol
Exact Mass331.14
IUPAC NameN-[[(3R)-3-hydroxy-1-pyridin-2-ylpiperidin-3-yl]methyl]-N-methylthiophene-3-carboxamide
SMILESCN(C[C@@]1(O)CCCN(c2ccccn2)C1)C(=O)c1ccsc1
InChIInChI=1S/C17H21N3O2S/c1-19(16(21)14-6-10-23-11-14)12-17(22)7-4-9-20(13-17)15-5-2-3-8-18-15/h2-3,5-6,8,10-11,22H,4,7,9,12-13H2,1H3/t17-/m0/s1
InChIKeyQRQBEBSFZBVILX-KRWDZBQOSA-N
XLogP2.25
TPSA56.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.44
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[(3R)-3-hydroxy-1-pyridin-2-ylpiperidin-3-yl]methyl]-N-methylthiophene-3-carboxamide?
The IUPAC name of N-[[(3R)-3-hydroxy-1-pyridin-2-ylpiperidin-3-yl]methyl]-N-methylthiophene-3-carboxamide (CID 124996231) is N-[[(3R)-3-hydroxy-1-pyridin-2-ylpiperidin-3-yl]methyl]-N-methylthiophene-3-carboxamide.
What is the SMILES notation for N-[[(3R)-3-hydroxy-1-pyridin-2-ylpiperidin-3-yl]methyl]-N-methylthiophene-3-carboxamide?
The canonical SMILES for N-[[(3R)-3-hydroxy-1-pyridin-2-ylpiperidin-3-yl]methyl]-N-methylthiophene-3-carboxamide is CN(C[C@@]1(O)CCCN(c2ccccn2)C1)C(=O)c1ccsc1.
What is the InChIKey of N-[[(3R)-3-hydroxy-1-pyridin-2-ylpiperidin-3-yl]methyl]-N-methylthiophene-3-carboxamide?
The InChIKey is QRQBEBSFZBVILX-KRWDZBQOSA-N. The full InChI is InChI=1S/C17H21N3O2S/c1-19(16(21)14-6-10-23-11-14)12-17(22)7-4-9-20(13-17)15-5-2-3-8-18-15/h2-3,5-6,8,10-11,22H,4,7,9,12-13H2,1H3/t17-/m0/s1.
What are the key properties of N-[[(3R)-3-hydroxy-1-pyridin-2-ylpiperidin-3-yl]methyl]-N-methylthiophene-3-carboxamide?
N-[[(3R)-3-hydroxy-1-pyridin-2-ylpiperidin-3-yl]methyl]-N-methylthiophene-3-carboxamide has a molecular weight of 331.44 g/mol, XLogP of 2.25, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3R)-3-hydroxy-1-pyridin-2-ylpiperidin-3-yl]methyl]-N-methylthiophene-3-carboxamide is sourced from PubChem (CID 124996231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).