N-[(3R,4R)-1-[(2,4-difluorophenyl)methyl]-3-hydroxypiperidin-4-yl]pyridine-3-carboxamide

C18H19F2N3O2 — CID 70742419

IUPACN-[(3R,4R)-1-[(2,4-difluorophenyl)methyl]-3-hydroxypiperidin-4-yl]pyridine-3-carboxamide
SMILESO=C(N[C@@H]1CCN(Cc2ccc(F)cc2F)C[C@H]1O)c1cccnc1
InChIInChI=1S/C18H19F2N3O2/c19-14-4-3-13(15(20)8-14)10-23-7-5-16(17(24)11-23)22-18(25)12-2-1-6-21-9-12/h1-4,6,8-9,16-17,24H,5,7,10-11H2,(H,22,25)/t16-,17-/m1/s1
InChIKeySVZDGUPMNPNECG-IAGOWNOFSA-N
MW347.37 g/mol
LogP1.73
Rot. Bonds4

About N-[(3R,4R)-1-[(2,4-difluorophenyl)methyl]-3-hydroxypiperidin-4-yl]pyridine-3-carboxamide

N-[(3R,4R)-1-[(2,4-difluorophenyl)methyl]-3-hydroxypiperidin-4-yl]pyridine-3-carboxamide (PubChem CID 70742419) has the molecular formula C18H19F2N3O2 and a molecular weight of 347.37 g/mol. Its IUPAC name is N-[(3R,4R)-1-[(2,4-difluorophenyl)methyl]-3-hydroxypiperidin-4-yl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(3R,4R)-1-[(2,4-difluorophenyl)methyl]-3-hydroxypiperidin-4-yl]pyridine-3-carboxamide
PubChem CID70742419
Molecular FormulaC18H19F2N3O2
Molecular Weight347.37 g/mol
Exact Mass347.14
IUPAC NameN-[(3R,4R)-1-[(2,4-difluorophenyl)methyl]-3-hydroxypiperidin-4-yl]pyridine-3-carboxamide
SMILESO=C(N[C@@H]1CCN(Cc2ccc(F)cc2F)C[C@H]1O)c1cccnc1
InChIInChI=1S/C18H19F2N3O2/c19-14-4-3-13(15(20)8-14)10-23-7-5-16(17(24)11-23)22-18(25)12-2-1-6-21-9-12/h1-4,6,8-9,16-17,24H,5,7,10-11H2,(H,22,25)/t16-,17-/m1/s1
InChIKeySVZDGUPMNPNECG-IAGOWNOFSA-N
XLogP1.73
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.37
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(3R,4R)-1-[(2,4-difluorophenyl)methyl]-3-hydroxypiperidin-4-yl]pyridine-3-carboxamide?
The IUPAC name of N-[(3R,4R)-1-[(2,4-difluorophenyl)methyl]-3-hydroxypiperidin-4-yl]pyridine-3-carboxamide (CID 70742419) is N-[(3R,4R)-1-[(2,4-difluorophenyl)methyl]-3-hydroxypiperidin-4-yl]pyridine-3-carboxamide.
What is the SMILES notation for N-[(3R,4R)-1-[(2,4-difluorophenyl)methyl]-3-hydroxypiperidin-4-yl]pyridine-3-carboxamide?
The canonical SMILES for N-[(3R,4R)-1-[(2,4-difluorophenyl)methyl]-3-hydroxypiperidin-4-yl]pyridine-3-carboxamide is O=C(N[C@@H]1CCN(Cc2ccc(F)cc2F)C[C@H]1O)c1cccnc1.
What is the InChIKey of N-[(3R,4R)-1-[(2,4-difluorophenyl)methyl]-3-hydroxypiperidin-4-yl]pyridine-3-carboxamide?
The InChIKey is SVZDGUPMNPNECG-IAGOWNOFSA-N. The full InChI is InChI=1S/C18H19F2N3O2/c19-14-4-3-13(15(20)8-14)10-23-7-5-16(17(24)11-23)22-18(25)12-2-1-6-21-9-12/h1-4,6,8-9,16-17,24H,5,7,10-11H2,(H,22,25)/t16-,17-/m1/s1.
What are the key properties of N-[(3R,4R)-1-[(2,4-difluorophenyl)methyl]-3-hydroxypiperidin-4-yl]pyridine-3-carboxamide?
N-[(3R,4R)-1-[(2,4-difluorophenyl)methyl]-3-hydroxypiperidin-4-yl]pyridine-3-carboxamide has a molecular weight of 347.37 g/mol, XLogP of 1.73, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,4R)-1-[(2,4-difluorophenyl)methyl]-3-hydroxypiperidin-4-yl]pyridine-3-carboxamide is sourced from PubChem (CID 70742419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).