2,5-dichloro-N-(3-tricyclo[3.2.1.02,4]octanyl)pyridine-4-carboxamide

C14H14Cl2N2O — CID 105058307

IUPAC2,5-dichloro-N-(3-tricyclo[3.2.1.02,4]octanyl)pyridine-4-carboxamide
SMILESO=C(NC1C2C3CCC(C3)C12)c1cc(Cl)ncc1Cl
InChIInChI=1S/C14H14Cl2N2O/c15-9-5-17-10(16)4-8(9)14(19)18-13-11-6-1-2-7(3-6)12(11)13/h4-7,11-13H,1-3H2,(H,18,19)
InChIKeyJXPWQVFRFLIMLD-UHFFFAOYSA-N
MW297.19 g/mol
LogP3.16
Rot. Bonds2

About 2,5-dichloro-N-(3-tricyclo[3.2.1.02,4]octanyl)pyridine-4-carboxamide

2,5-dichloro-N-(3-tricyclo[3.2.1.02,4]octanyl)pyridine-4-carboxamide (PubChem CID 105058307) has the molecular formula C14H14Cl2N2O and a molecular weight of 297.19 g/mol. Its IUPAC name is 2,5-dichloro-N-(3-tricyclo[3.2.1.02,4]octanyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2,5-dichloro-N-(3-tricyclo[3.2.1.02,4]octanyl)pyridine-4-carboxamide
PubChem CID105058307
Molecular FormulaC14H14Cl2N2O
Molecular Weight297.19 g/mol
Exact Mass296.05
IUPAC Name2,5-dichloro-N-(3-tricyclo[3.2.1.02,4]octanyl)pyridine-4-carboxamide
SMILESO=C(NC1C2C3CCC(C3)C12)c1cc(Cl)ncc1Cl
InChIInChI=1S/C14H14Cl2N2O/c15-9-5-17-10(16)4-8(9)14(19)18-13-11-6-1-2-7(3-6)12(11)13/h4-7,11-13H,1-3H2,(H,18,19)
InChIKeyJXPWQVFRFLIMLD-UHFFFAOYSA-N
XLogP3.16
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.19
LogP ≤ 53.16
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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Related Compounds

2,5-dichloro-N-(2-methyloxolan-3-yl)pyridine-4-carboxamide
CID 114918773
3,6-dichloro-N-(3-tricyclo[3.2.1.02,4]octanyl)pyridine-2-carboxamide
CID 103767084
2,5-dichloro-N-(3-ethoxycyclobutyl)pyridine-4-carboxamide
CID 102612131
2,5-dichloro-N-[3-hydroxy-3-(trifluoromethyl)cyclobutyl]pyridine-4-carboxamide
CID 126830073
2,5-dichloro-N-(4,6-dichloropyrimidin-5-yl)pyridine-4-carboxamide
CID 114074081
2,5-dichloro-N-[1-(oxan-4-yl)ethyl]pyridine-4-carboxamide
CID 105060780
3-chloro-4-hydroxy-N-(3-tricyclo[3.2.1.02,4]octanyl)benzamide
CID 103767220
2,5-dichloro-N-(1-methylcyclopropyl)pyridine-4-carboxamide
CID 114918894
2,5-dichloro-N-[(2-methylcyclopropyl)methyl]pyridine-4-carboxamide
CID 114918866
2,5-dichloro-N-[2-(3-methylcyclohexyl)ethyl]pyridine-4-carboxamide
CID 114918549
2,5-dichloro-N-[2-(4-methylcyclohexyl)ethyl]pyridine-4-carboxamide
CID 114918550
tert-butyl 3-[(2,5-dichloropyridine-4-carbonyl)amino]pyrrolidine-1-carboxylate
CID 172648294

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-(3-tricyclo[3.2.1.02,4]octanyl)pyridine-4-carboxamide?
The IUPAC name of 2,5-dichloro-N-(3-tricyclo[3.2.1.02,4]octanyl)pyridine-4-carboxamide (CID 105058307) is 2,5-dichloro-N-(3-tricyclo[3.2.1.02,4]octanyl)pyridine-4-carboxamide.
What is the SMILES notation for 2,5-dichloro-N-(3-tricyclo[3.2.1.02,4]octanyl)pyridine-4-carboxamide?
The canonical SMILES for 2,5-dichloro-N-(3-tricyclo[3.2.1.02,4]octanyl)pyridine-4-carboxamide is O=C(NC1C2C3CCC(C3)C12)c1cc(Cl)ncc1Cl.
What is the InChIKey of 2,5-dichloro-N-(3-tricyclo[3.2.1.02,4]octanyl)pyridine-4-carboxamide?
The InChIKey is JXPWQVFRFLIMLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14Cl2N2O/c15-9-5-17-10(16)4-8(9)14(19)18-13-11-6-1-2-7(3-6)12(11)13/h4-7,11-13H,1-3H2,(H,18,19).
What are the key properties of 2,5-dichloro-N-(3-tricyclo[3.2.1.02,4]octanyl)pyridine-4-carboxamide?
2,5-dichloro-N-(3-tricyclo[3.2.1.02,4]octanyl)pyridine-4-carboxamide has a molecular weight of 297.19 g/mol, XLogP of 3.16, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-(3-tricyclo[3.2.1.02,4]octanyl)pyridine-4-carboxamide is sourced from PubChem (CID 105058307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).