3,6-dichloro-N-[(1R,2R,6R,7S,8R)-8-tricyclo[5.2.1.02,6]decanyl]pyridine-2-carboxamide

C16H18Cl2N2O — CID 124785469

IUPAC3,6-dichloro-N-[(1R,2R,6R,7S,8R)-8-tricyclo[5.2.1.02,6]decanyl]pyridine-2-carboxamide
SMILESO=C(N[C@@H]1C[C@H]2C[C@H]1[C@@H]1CCC[C@H]21)c1nc(Cl)ccc1Cl
InChIInChI=1S/C16H18Cl2N2O/c17-12-4-5-14(18)20-15(12)16(21)19-13-7-8-6-11(13)10-3-1-2-9(8)10/h4-5,8-11,13H,1-3,6-7H2,(H,19,21)/t8-,9-,10-,11+,13-/m1/s1
InChIKeyBXBYAUZULNCBMQ-ZZBQETCWSA-N
MW325.24 g/mol
LogP3.94
Rot. Bonds2

About 3,6-dichloro-N-[(1R,2R,6R,7S,8R)-8-tricyclo[5.2.1.02,6]decanyl]pyridine-2-carboxamide

3,6-dichloro-N-[(1R,2R,6R,7S,8R)-8-tricyclo[5.2.1.02,6]decanyl]pyridine-2-carboxamide (PubChem CID 124785469) has the molecular formula C16H18Cl2N2O and a molecular weight of 325.24 g/mol. Its IUPAC name is 3,6-dichloro-N-[(1R,2R,6R,7S,8R)-8-tricyclo[5.2.1.02,6]decanyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name3,6-dichloro-N-[(1R,2R,6R,7S,8R)-8-tricyclo[5.2.1.02,6]decanyl]pyridine-2-carboxamide
PubChem CID124785469
Molecular FormulaC16H18Cl2N2O
Molecular Weight325.24 g/mol
Exact Mass324.08
IUPAC Name3,6-dichloro-N-[(1R,2R,6R,7S,8R)-8-tricyclo[5.2.1.02,6]decanyl]pyridine-2-carboxamide
SMILESO=C(N[C@@H]1C[C@H]2C[C@H]1[C@@H]1CCC[C@H]21)c1nc(Cl)ccc1Cl
InChIInChI=1S/C16H18Cl2N2O/c17-12-4-5-14(18)20-15(12)16(21)19-13-7-8-6-11(13)10-3-1-2-9(8)10/h4-5,8-11,13H,1-3,6-7H2,(H,19,21)/t8-,9-,10-,11+,13-/m1/s1
InChIKeyBXBYAUZULNCBMQ-ZZBQETCWSA-N
XLogP3.94
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.24
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 3,6-dichloro-N-[(1R,2R,6R,7S,8R)-8-tricyclo[5.2.1.02,6]decanyl]pyridine-2-carboxamide?
The IUPAC name of 3,6-dichloro-N-[(1R,2R,6R,7S,8R)-8-tricyclo[5.2.1.02,6]decanyl]pyridine-2-carboxamide (CID 124785469) is 3,6-dichloro-N-[(1R,2R,6R,7S,8R)-8-tricyclo[5.2.1.02,6]decanyl]pyridine-2-carboxamide.
What is the SMILES notation for 3,6-dichloro-N-[(1R,2R,6R,7S,8R)-8-tricyclo[5.2.1.02,6]decanyl]pyridine-2-carboxamide?
The canonical SMILES for 3,6-dichloro-N-[(1R,2R,6R,7S,8R)-8-tricyclo[5.2.1.02,6]decanyl]pyridine-2-carboxamide is O=C(N[C@@H]1C[C@H]2C[C@H]1[C@@H]1CCC[C@H]21)c1nc(Cl)ccc1Cl.
What is the InChIKey of 3,6-dichloro-N-[(1R,2R,6R,7S,8R)-8-tricyclo[5.2.1.02,6]decanyl]pyridine-2-carboxamide?
The InChIKey is BXBYAUZULNCBMQ-ZZBQETCWSA-N. The full InChI is InChI=1S/C16H18Cl2N2O/c17-12-4-5-14(18)20-15(12)16(21)19-13-7-8-6-11(13)10-3-1-2-9(8)10/h4-5,8-11,13H,1-3,6-7H2,(H,19,21)/t8-,9-,10-,11+,13-/m1/s1.
What are the key properties of 3,6-dichloro-N-[(1R,2R,6R,7S,8R)-8-tricyclo[5.2.1.02,6]decanyl]pyridine-2-carboxamide?
3,6-dichloro-N-[(1R,2R,6R,7S,8R)-8-tricyclo[5.2.1.02,6]decanyl]pyridine-2-carboxamide has a molecular weight of 325.24 g/mol, XLogP of 3.94, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dichloro-N-[(1R,2R,6R,7S,8R)-8-tricyclo[5.2.1.02,6]decanyl]pyridine-2-carboxamide is sourced from PubChem (CID 124785469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).