2,6-dichloro-N-[(1R,2R,3R,5R)-5-hydroxy-2-tricyclo[3.3.1.03,7]nonanyl]pyridine-3-carboxamide

C15H16Cl2N2O2 — CID 71608944

IUPAC2,6-dichloro-N-[(1R,2R,3R,5R)-5-hydroxy-2-tricyclo[3.3.1.03,7]nonanyl]pyridine-3-carboxamide
SMILESO=C(N[C@@H]1[C@@H]2CC3C[C@@](O)(C2)C[C@H]31)c1ccc(Cl)nc1Cl
InChIInChI=1S/C15H16Cl2N2O2/c16-11-2-1-9(13(17)18-11)14(20)19-12-8-3-7-4-15(21,5-8)6-10(7)12/h1-2,7-8,10,12,21H,3-6H2,(H,19,20)/t7?,8-,10-,12-,15-/m1/s1
InChIKeyYYBUNGKIGFPKTE-VRKFFRJBSA-N
MW327.21 g/mol
LogP2.67
Rot. Bonds2

About 2,6-dichloro-N-[(1R,2R,3R,5R)-5-hydroxy-2-tricyclo[3.3.1.03,7]nonanyl]pyridine-3-carboxamide

2,6-dichloro-N-[(1R,2R,3R,5R)-5-hydroxy-2-tricyclo[3.3.1.03,7]nonanyl]pyridine-3-carboxamide (PubChem CID 71608944) has the molecular formula C15H16Cl2N2O2 and a molecular weight of 327.21 g/mol. Its IUPAC name is 2,6-dichloro-N-[(1R,2R,3R,5R)-5-hydroxy-2-tricyclo[3.3.1.03,7]nonanyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2,6-dichloro-N-[(1R,2R,3R,5R)-5-hydroxy-2-tricyclo[3.3.1.03,7]nonanyl]pyridine-3-carboxamide
PubChem CID71608944
Molecular FormulaC15H16Cl2N2O2
Molecular Weight327.21 g/mol
Exact Mass326.06
IUPAC Name2,6-dichloro-N-[(1R,2R,3R,5R)-5-hydroxy-2-tricyclo[3.3.1.03,7]nonanyl]pyridine-3-carboxamide
SMILESO=C(N[C@@H]1[C@@H]2CC3C[C@@](O)(C2)C[C@H]31)c1ccc(Cl)nc1Cl
InChIInChI=1S/C15H16Cl2N2O2/c16-11-2-1-9(13(17)18-11)14(20)19-12-8-3-7-4-15(21,5-8)6-10(7)12/h1-2,7-8,10,12,21H,3-6H2,(H,19,20)/t7?,8-,10-,12-,15-/m1/s1
InChIKeyYYBUNGKIGFPKTE-VRKFFRJBSA-N
XLogP2.67
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.21
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-N-[(1R,2R,3R,5R)-5-hydroxy-2-tricyclo[3.3.1.03,7]nonanyl]pyridine-3-carboxamide?
The IUPAC name of 2,6-dichloro-N-[(1R,2R,3R,5R)-5-hydroxy-2-tricyclo[3.3.1.03,7]nonanyl]pyridine-3-carboxamide (CID 71608944) is 2,6-dichloro-N-[(1R,2R,3R,5R)-5-hydroxy-2-tricyclo[3.3.1.03,7]nonanyl]pyridine-3-carboxamide.
What is the SMILES notation for 2,6-dichloro-N-[(1R,2R,3R,5R)-5-hydroxy-2-tricyclo[3.3.1.03,7]nonanyl]pyridine-3-carboxamide?
The canonical SMILES for 2,6-dichloro-N-[(1R,2R,3R,5R)-5-hydroxy-2-tricyclo[3.3.1.03,7]nonanyl]pyridine-3-carboxamide is O=C(N[C@@H]1[C@@H]2CC3C[C@@](O)(C2)C[C@H]31)c1ccc(Cl)nc1Cl.
What is the InChIKey of 2,6-dichloro-N-[(1R,2R,3R,5R)-5-hydroxy-2-tricyclo[3.3.1.03,7]nonanyl]pyridine-3-carboxamide?
The InChIKey is YYBUNGKIGFPKTE-VRKFFRJBSA-N. The full InChI is InChI=1S/C15H16Cl2N2O2/c16-11-2-1-9(13(17)18-11)14(20)19-12-8-3-7-4-15(21,5-8)6-10(7)12/h1-2,7-8,10,12,21H,3-6H2,(H,19,20)/t7?,8-,10-,12-,15-/m1/s1.
What are the key properties of 2,6-dichloro-N-[(1R,2R,3R,5R)-5-hydroxy-2-tricyclo[3.3.1.03,7]nonanyl]pyridine-3-carboxamide?
2,6-dichloro-N-[(1R,2R,3R,5R)-5-hydroxy-2-tricyclo[3.3.1.03,7]nonanyl]pyridine-3-carboxamide has a molecular weight of 327.21 g/mol, XLogP of 2.67, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-N-[(1R,2R,3R,5R)-5-hydroxy-2-tricyclo[3.3.1.03,7]nonanyl]pyridine-3-carboxamide is sourced from PubChem (CID 71608944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).