N-(2-chloro-5-methyl-3-pyridinyl)tricyclo[3.2.1.02,4]octane-3-carboxamide

C15H17ClN2O — CID 102979561

IUPACN-(2-chloro-5-methyl-3-pyridinyl)tricyclo[3.2.1.02,4]octane-3-carboxamide
SMILESCc1cnc(Cl)c(NC(=O)C2C3C4CCC(C4)C23)c1
InChIInChI=1S/C15H17ClN2O/c1-7-4-10(14(16)17-6-7)18-15(19)13-11-8-2-3-9(5-8)12(11)13/h4,6,8-9,11-13H,2-3,5H2,1H3,(H,18,19)
InChIKeyRJEBIAOBPQWDQW-UHFFFAOYSA-N
MW276.77 g/mol
LogP3.27
Rot. Bonds2

About N-(2-chloro-5-methyl-3-pyridinyl)tricyclo[3.2.1.02,4]octane-3-carboxamide

N-(2-chloro-5-methyl-3-pyridinyl)tricyclo[3.2.1.02,4]octane-3-carboxamide (PubChem CID 102979561) has the molecular formula C15H17ClN2O and a molecular weight of 276.77 g/mol. Its IUPAC name is N-(2-chloro-5-methyl-3-pyridinyl)tricyclo[3.2.1.02,4]octane-3-carboxamide.

Molecular Properties

Compound NameN-(2-chloro-5-methyl-3-pyridinyl)tricyclo[3.2.1.02,4]octane-3-carboxamide
PubChem CID102979561
Molecular FormulaC15H17ClN2O
Molecular Weight276.77 g/mol
Exact Mass276.10
IUPAC NameN-(2-chloro-5-methyl-3-pyridinyl)tricyclo[3.2.1.02,4]octane-3-carboxamide
SMILESCc1cnc(Cl)c(NC(=O)C2C3C4CCC(C4)C23)c1
InChIInChI=1S/C15H17ClN2O/c1-7-4-10(14(16)17-6-7)18-15(19)13-11-8-2-3-9(5-8)12(11)13/h4,6,8-9,11-13H,2-3,5H2,1H3,(H,18,19)
InChIKeyRJEBIAOBPQWDQW-UHFFFAOYSA-N
XLogP3.27
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.77
LogP ≤ 53.27
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

N-(2-chloro-5-methyl-3-pyridinyl)oxolane-2-carboxamide
CID 102979589
(1R,2S,4S,5R)-N-(5-chloro-2-methylphenyl)tricyclo[3.2.1.02,4]octane-3-carboxamide
CID 98197726
(1R,2S,4S,5R)-N-(3,5-dimethylphenyl)tricyclo[3.2.1.02,4]octane-3-carboxamide
CID 98189669
(1S,2R,4R,5S)-N-(2,4-dichlorophenyl)tricyclo[3.2.1.02,4]octane-3-carboxamide
CID 98230227
N-(4-hydroxy-2-methylphenyl)tricyclo[3.2.1.02,4]octane-3-carboxamide
CID 103820530
5-methyl-2-(tricyclo[3.2.1.02,4]octane-3-carbonylamino)benzoic acid
CID 104539531
(1R,2S,4R,5S)-N-(2-methylphenyl)tricyclo[3.2.1.02,4]octane-3-carboxamide
CID 685768
N-(5-bromo-2-chlorophenyl)tricyclo[3.2.1.02,4]octane-3-carboxamide
CID 103760899
(1R,2S,4R,5R)-N-(4-methylphenyl)tricyclo[3.2.1.02,4]octane-3-carboxamide
CID 98126766
N-(2-chloro-5-methyl-3-pyridinyl)-2,4,6-trimethylbenzamide
CID 102979790
(1R,2S,4S,5R)-N-(4-chlorophenyl)tricyclo[3.2.1.02,4]octane-3-carboxamide
CID 98136697
(1S,2R,4R,5S)-N-(4-chlorophenyl)tricyclo[3.2.1.02,4]octane-3-carboxamide
CID 98252305

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-5-methyl-3-pyridinyl)tricyclo[3.2.1.02,4]octane-3-carboxamide?
The IUPAC name of N-(2-chloro-5-methyl-3-pyridinyl)tricyclo[3.2.1.02,4]octane-3-carboxamide (CID 102979561) is N-(2-chloro-5-methyl-3-pyridinyl)tricyclo[3.2.1.02,4]octane-3-carboxamide.
What is the SMILES notation for N-(2-chloro-5-methyl-3-pyridinyl)tricyclo[3.2.1.02,4]octane-3-carboxamide?
The canonical SMILES for N-(2-chloro-5-methyl-3-pyridinyl)tricyclo[3.2.1.02,4]octane-3-carboxamide is Cc1cnc(Cl)c(NC(=O)C2C3C4CCC(C4)C23)c1.
What is the InChIKey of N-(2-chloro-5-methyl-3-pyridinyl)tricyclo[3.2.1.02,4]octane-3-carboxamide?
The InChIKey is RJEBIAOBPQWDQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2O/c1-7-4-10(14(16)17-6-7)18-15(19)13-11-8-2-3-9(5-8)12(11)13/h4,6,8-9,11-13H,2-3,5H2,1H3,(H,18,19).
What are the key properties of N-(2-chloro-5-methyl-3-pyridinyl)tricyclo[3.2.1.02,4]octane-3-carboxamide?
N-(2-chloro-5-methyl-3-pyridinyl)tricyclo[3.2.1.02,4]octane-3-carboxamide has a molecular weight of 276.77 g/mol, XLogP of 3.27, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-5-methyl-3-pyridinyl)tricyclo[3.2.1.02,4]octane-3-carboxamide is sourced from PubChem (CID 102979561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).