N-(6-chloro-3-pyridinyl)-6-methylspiro[2.5]octane-2-carboxamide

C15H19ClN2O — CID 155221409

IUPACN-(6-chloro-3-pyridinyl)-6-methylspiro[2.5]octane-2-carboxamide
SMILESCC1CCC2(CC1)CC2C(=O)Nc1ccc(Cl)nc1
InChIInChI=1S/C15H19ClN2O/c1-10-4-6-15(7-5-10)8-12(15)14(19)18-11-2-3-13(16)17-9-11/h2-3,9-10,12H,4-8H2,1H3,(H,18,19)
InChIKeyNQONCNGPARDEEE-UHFFFAOYSA-N
MW278.78 g/mol
LogP3.89
Rot. Bonds2

About N-(6-chloro-3-pyridinyl)-6-methylspiro[2.5]octane-2-carboxamide

N-(6-chloro-3-pyridinyl)-6-methylspiro[2.5]octane-2-carboxamide (PubChem CID 155221409) has the molecular formula C15H19ClN2O and a molecular weight of 278.78 g/mol. Its IUPAC name is N-(6-chloro-3-pyridinyl)-6-methylspiro[2.5]octane-2-carboxamide.

Molecular Properties

Compound NameN-(6-chloro-3-pyridinyl)-6-methylspiro[2.5]octane-2-carboxamide
PubChem CID155221409
Molecular FormulaC15H19ClN2O
Molecular Weight278.78 g/mol
Exact Mass278.12
IUPAC NameN-(6-chloro-3-pyridinyl)-6-methylspiro[2.5]octane-2-carboxamide
SMILESCC1CCC2(CC1)CC2C(=O)Nc1ccc(Cl)nc1
InChIInChI=1S/C15H19ClN2O/c1-10-4-6-15(7-5-10)8-12(15)14(19)18-11-2-3-13(16)17-9-11/h2-3,9-10,12H,4-8H2,1H3,(H,18,19)
InChIKeyNQONCNGPARDEEE-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'}

Analyze N-(6-chloro-3-pyridinyl)-6-methylspiro[2.5]octane-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-N-(6-chloro-3-pyridinyl)-6-(6-fluoroquinolin-4-yl)spiro[2.5]octane-2-carboxamide
CID 147211398
(2R,5S)-5-[(6-chloro-3-pyridinyl)carbamoyl]oxolane-2-carboxylic acid
CID 102945567
N-(6-chloro-3-pyridinyl)bicyclo[3.3.1]nonane-3-carboxamide
CID 146095511
cis-(1S,3R)-3-[(6-chloro-3-pyridinyl)carbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid
CID 95389956
trans-(1S,2S)-N-(6-chloro-3-pyridinyl)-2-(difluoromethyl)cyclopropane-1-carboxamide
CID 146083394
N-(4-chlorophenyl)-2,8-dimethyl-2-azaspiro[4.5]decane-4-carboxamide
CID 155221391
N-(4-acetamidophenyl)spiro[2.3]hexane-2-carboxamide
CID 56689692
N-(6-chloro-3-pyridinyl)-5-methyl-2-azaspiro[5.5]undecane-2-carboxamide
CID 146076546
N-(6-chloro-3-pyridinyl)-7-azabicyclo[2.2.1]heptane-7-carboxamide
CID 146075621
N-(6-chloro-3-pyridinyl)piperidine-3-carboxamide
CID 81426071
1-(6-chloro-3-pyridinyl)-3-(3-fluoro-3-methylcyclobutyl)urea
CID 146092154
tert-butyl 2-[[6-(methylcarbamoyl)-3-pyridinyl]carbamoyl]-6-azaspiro[2.5]octane-6-carboxylate
CID 163299121

Frequently Asked Questions

What is the IUPAC name of N-(6-chloro-3-pyridinyl)-6-methylspiro[2.5]octane-2-carboxamide?
The IUPAC name of N-(6-chloro-3-pyridinyl)-6-methylspiro[2.5]octane-2-carboxamide (CID 155221409) is N-(6-chloro-3-pyridinyl)-6-methylspiro[2.5]octane-2-carboxamide.
What is the SMILES notation for N-(6-chloro-3-pyridinyl)-6-methylspiro[2.5]octane-2-carboxamide?
The canonical SMILES for N-(6-chloro-3-pyridinyl)-6-methylspiro[2.5]octane-2-carboxamide is CC1CCC2(CC1)CC2C(=O)Nc1ccc(Cl)nc1.
What is the InChIKey of N-(6-chloro-3-pyridinyl)-6-methylspiro[2.5]octane-2-carboxamide?
The InChIKey is NQONCNGPARDEEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN2O/c1-10-4-6-15(7-5-10)8-12(15)14(19)18-11-2-3-13(16)17-9-11/h2-3,9-10,12H,4-8H2,1H3,(H,18,19).
What are the key properties of N-(6-chloro-3-pyridinyl)-6-methylspiro[2.5]octane-2-carboxamide?
N-(6-chloro-3-pyridinyl)-6-methylspiro[2.5]octane-2-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)-6-methylspiro[2.5]octane-2-carboxamide is sourced from PubChem (CID 155221409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).