N-[(3R,4R)-3-hydroxy-1-(thiophen-3-ylmethyl)piperidin-4-yl]pyridine-3-carboxamide

C16H19N3O2S — CID 70765365

IUPACN-[(3R,4R)-3-hydroxy-1-(thiophen-3-ylmethyl)piperidin-4-yl]pyridine-3-carboxamide
SMILESO=C(N[C@@H]1CCN(Cc2ccsc2)C[C@H]1O)c1cccnc1
InChIInChI=1S/C16H19N3O2S/c20-15-10-19(9-12-4-7-22-11-12)6-3-14(15)18-16(21)13-2-1-5-17-8-13/h1-2,4-5,7-8,11,14-15,20H,3,6,9-10H2,(H,18,21)/t14-,15-/m1/s1
InChIKeyZHIXUSFQEGDRPZ-HUUCEWRRSA-N
MW317.41 g/mol
LogP1.51
Rot. Bonds4

About N-[(3R,4R)-3-hydroxy-1-(thiophen-3-ylmethyl)piperidin-4-yl]pyridine-3-carboxamide

N-[(3R,4R)-3-hydroxy-1-(thiophen-3-ylmethyl)piperidin-4-yl]pyridine-3-carboxamide (PubChem CID 70765365) has the molecular formula C16H19N3O2S and a molecular weight of 317.41 g/mol. Its IUPAC name is N-[(3R,4R)-3-hydroxy-1-(thiophen-3-ylmethyl)piperidin-4-yl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(3R,4R)-3-hydroxy-1-(thiophen-3-ylmethyl)piperidin-4-yl]pyridine-3-carboxamide
PubChem CID70765365
Molecular FormulaC16H19N3O2S
Molecular Weight317.41 g/mol
Exact Mass317.12
IUPAC NameN-[(3R,4R)-3-hydroxy-1-(thiophen-3-ylmethyl)piperidin-4-yl]pyridine-3-carboxamide
SMILESO=C(N[C@@H]1CCN(Cc2ccsc2)C[C@H]1O)c1cccnc1
InChIInChI=1S/C16H19N3O2S/c20-15-10-19(9-12-4-7-22-11-12)6-3-14(15)18-16(21)13-2-1-5-17-8-13/h1-2,4-5,7-8,11,14-15,20H,3,6,9-10H2,(H,18,21)/t14-,15-/m1/s1
InChIKeyZHIXUSFQEGDRPZ-HUUCEWRRSA-N
XLogP1.51
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.41
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3R,4R)-3-hydroxy-1-[(1-phenylpyrazol-4-yl)methyl]piperidin-4-yl]pyridine-3-carboxamide
CID 70767473
N-[(3S,4S)-1-[(3-chloro-4-methoxyphenyl)methyl]-3-hydroxypiperidin-4-yl]pyridine-3-carboxamide
CID 164633693
N-[(3R,4R)-4-hydroxy-1-(thiophen-3-ylmethyl)pyrrolidin-3-yl]pyrazine-2-carboxamide
CID 110133362
N-[(3R,4R)-3-hydroxy-1-[[5-(1H-pyrazol-5-yl)thiophen-2-yl]methyl]piperidin-4-yl]pyridine-3-carboxamide
CID 70733332
N-[2-[[(3R,4R)-3-hydroxy-1-(pyridin-3-ylmethyl)piperidin-4-yl]amino]-2-oxoethyl]benzamide
CID 91839912
N-[(3R,4R)-3-hydroxy-1-(pyridin-3-ylmethyl)piperidin-4-yl]-1H-indole-6-carboxamide
CID 91840322
N-[(5R,9S)-2-(thiophen-3-ylmethyl)-6-oxa-2-azaspiro[4.5]decan-9-yl]pyridine-3-carboxamide
CID 97476031
N-[1-(thiophen-3-ylmethyl)pyrrolidin-3-yl]pyrazine-2-carboxamide
CID 134161550
N-[3-hydroxy-1-(pyridin-3-ylmethyl)piperidin-4-yl]pentanamide
CID 166331020
N-[(3R,4R)-1-[(4-ethylphenyl)methyl]-3-hydroxypiperidin-4-yl]pyrazine-2-carboxamide
CID 70706579
N-(pyridin-3-ylmethyl)-3-[1-(thiophen-3-ylmethyl)piperidin-4-yl]oxybenzamide
CID 42462930
(2S,3aR,7aR)-N-pyridin-3-yl-6-(thiophen-3-ylmethyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide
CID 124781922

Frequently Asked Questions

What is the IUPAC name of N-[(3R,4R)-3-hydroxy-1-(thiophen-3-ylmethyl)piperidin-4-yl]pyridine-3-carboxamide?
The IUPAC name of N-[(3R,4R)-3-hydroxy-1-(thiophen-3-ylmethyl)piperidin-4-yl]pyridine-3-carboxamide (CID 70765365) is N-[(3R,4R)-3-hydroxy-1-(thiophen-3-ylmethyl)piperidin-4-yl]pyridine-3-carboxamide.
What is the SMILES notation for N-[(3R,4R)-3-hydroxy-1-(thiophen-3-ylmethyl)piperidin-4-yl]pyridine-3-carboxamide?
The canonical SMILES for N-[(3R,4R)-3-hydroxy-1-(thiophen-3-ylmethyl)piperidin-4-yl]pyridine-3-carboxamide is O=C(N[C@@H]1CCN(Cc2ccsc2)C[C@H]1O)c1cccnc1.
What is the InChIKey of N-[(3R,4R)-3-hydroxy-1-(thiophen-3-ylmethyl)piperidin-4-yl]pyridine-3-carboxamide?
The InChIKey is ZHIXUSFQEGDRPZ-HUUCEWRRSA-N. The full InChI is InChI=1S/C16H19N3O2S/c20-15-10-19(9-12-4-7-22-11-12)6-3-14(15)18-16(21)13-2-1-5-17-8-13/h1-2,4-5,7-8,11,14-15,20H,3,6,9-10H2,(H,18,21)/t14-,15-/m1/s1.
What are the key properties of N-[(3R,4R)-3-hydroxy-1-(thiophen-3-ylmethyl)piperidin-4-yl]pyridine-3-carboxamide?
N-[(3R,4R)-3-hydroxy-1-(thiophen-3-ylmethyl)piperidin-4-yl]pyridine-3-carboxamide has a molecular weight of 317.41 g/mol, XLogP of 1.51, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,4R)-3-hydroxy-1-(thiophen-3-ylmethyl)piperidin-4-yl]pyridine-3-carboxamide is sourced from PubChem (CID 70765365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).