N-(6-chloro-3-pyridinyl)bicyclo[3.3.1]nonane-3-carboxamide

C15H19ClN2O — CID 146095511

IUPACN-(6-chloro-3-pyridinyl)bicyclo[3.3.1]nonane-3-carboxamide
SMILESO=C(Nc1ccc(Cl)nc1)C1CC2CCCC(C2)C1
InChIInChI=1S/C15H19ClN2O/c16-14-5-4-13(9-17-14)18-15(19)12-7-10-2-1-3-11(6-10)8-12/h4-5,9-12H,1-3,6-8H2,(H,18,19)
InChIKeyCWWDLRXJLINQRE-UHFFFAOYSA-N
MW278.78 g/mol
LogP3.89
Rot. Bonds2

About N-(6-chloro-3-pyridinyl)bicyclo[3.3.1]nonane-3-carboxamide

N-(6-chloro-3-pyridinyl)bicyclo[3.3.1]nonane-3-carboxamide (PubChem CID 146095511) has the molecular formula C15H19ClN2O and a molecular weight of 278.78 g/mol. Its IUPAC name is N-(6-chloro-3-pyridinyl)bicyclo[3.3.1]nonane-3-carboxamide.

Molecular Properties

Compound NameN-(6-chloro-3-pyridinyl)bicyclo[3.3.1]nonane-3-carboxamide
PubChem CID146095511
Molecular FormulaC15H19ClN2O
Molecular Weight278.78 g/mol
Exact Mass278.12
IUPAC NameN-(6-chloro-3-pyridinyl)bicyclo[3.3.1]nonane-3-carboxamide
SMILESO=C(Nc1ccc(Cl)nc1)C1CC2CCCC(C2)C1
InChIInChI=1S/C15H19ClN2O/c16-14-5-4-13(9-17-14)18-15(19)12-7-10-2-1-3-11(6-10)8-12/h4-5,9-12H,1-3,6-8H2,(H,18,19)
InChIKeyCWWDLRXJLINQRE-UHFFFAOYSA-N
XLogP3.89
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.78
LogP ≤ 53.89
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-(6-chloro-3-pyridinyl)piperidine-3-carboxamide
CID 81426071
(2R,5S)-5-[(6-chloro-3-pyridinyl)carbamoyl]oxolane-2-carboxylic acid
CID 102945567
N-(6-chloro-3-pyridinyl)-2-cyclopentylacetamide
CID 54788342
6-chloro-N-cyclobutylpyridin-3-amine
CID 75525310
N-(6-chloro-3-pyridinyl)-7-azabicyclo[2.2.1]heptane-7-carboxamide
CID 146075621
trans-(1S,2S)-N-(6-chloro-3-pyridinyl)-2-(difluoromethyl)cyclopropane-1-carboxamide
CID 146083394
N-(6-chloro-3-pyridinyl)-6-methylspiro[2.5]octane-2-carboxamide
CID 155221409
3-(6-chloro-3-pyridinyl)-1-cyclohexyl-1-(2-hydroxyethyl)urea
CID 72932044
N-(6-chloro-3-pyridinyl)-3-cyclohexylpropanamide
CID 113231839
N-(6-chloro-3-pyridinyl)-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide
CID 58016180
N-(6-chloro-3-pyridinyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-2-carboxamide
CID 47433118
N-[6-(4-chloroanilino)-3-pyridinyl]cyclohexanecarboxamide
CID 113018586

Frequently Asked Questions

What is the IUPAC name of N-(6-chloro-3-pyridinyl)bicyclo[3.3.1]nonane-3-carboxamide?
The IUPAC name of N-(6-chloro-3-pyridinyl)bicyclo[3.3.1]nonane-3-carboxamide (CID 146095511) is N-(6-chloro-3-pyridinyl)bicyclo[3.3.1]nonane-3-carboxamide.
What is the SMILES notation for N-(6-chloro-3-pyridinyl)bicyclo[3.3.1]nonane-3-carboxamide?
The canonical SMILES for N-(6-chloro-3-pyridinyl)bicyclo[3.3.1]nonane-3-carboxamide is O=C(Nc1ccc(Cl)nc1)C1CC2CCCC(C2)C1.
What is the InChIKey of N-(6-chloro-3-pyridinyl)bicyclo[3.3.1]nonane-3-carboxamide?
The InChIKey is CWWDLRXJLINQRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN2O/c16-14-5-4-13(9-17-14)18-15(19)12-7-10-2-1-3-11(6-10)8-12/h4-5,9-12H,1-3,6-8H2,(H,18,19).
What are the key properties of N-(6-chloro-3-pyridinyl)bicyclo[3.3.1]nonane-3-carboxamide?
N-(6-chloro-3-pyridinyl)bicyclo[3.3.1]nonane-3-carboxamide has a molecular weight of 278.78 g/mol, XLogP of 3.89, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-chloro-3-pyridinyl)bicyclo[3.3.1]nonane-3-carboxamide is sourced from PubChem (CID 146095511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).