[2-chloro-6-(ethylamino)-4-pyridinyl]-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)methanone

C14H18ClN3O2 — CID 66369750

IUPAC[2-chloro-6-(ethylamino)-4-pyridinyl]-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)methanone
SMILESCCNc1cc(C(=O)N2CC3CCC(C2)O3)cc(Cl)n1
InChIInChI=1S/C14H18ClN3O2/c1-2-16-13-6-9(5-12(15)17-13)14(19)18-7-10-3-4-11(8-18)20-10/h5-6,10-11H,2-4,7-8H2,1H3,(H,16,17)
InChIKeyFICMWZRBDMUMFI-UHFFFAOYSA-N
MW295.77 g/mol
LogP2.17
Rot. Bonds3

About [2-chloro-6-(ethylamino)-4-pyridinyl]-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)methanone

[2-chloro-6-(ethylamino)-4-pyridinyl]-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)methanone (PubChem CID 66369750) has the molecular formula C14H18ClN3O2 and a molecular weight of 295.77 g/mol. Its IUPAC name is [2-chloro-6-(ethylamino)-4-pyridinyl]-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)methanone.

Molecular Properties

Compound Name[2-chloro-6-(ethylamino)-4-pyridinyl]-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)methanone
PubChem CID66369750
Molecular FormulaC14H18ClN3O2
Molecular Weight295.77 g/mol
Exact Mass295.11
IUPAC Name[2-chloro-6-(ethylamino)-4-pyridinyl]-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)methanone
SMILESCCNc1cc(C(=O)N2CC3CCC(C2)O3)cc(Cl)n1
InChIInChI=1S/C14H18ClN3O2/c1-2-16-13-6-9(5-12(15)17-13)14(19)18-7-10-3-4-11(8-18)20-10/h5-6,10-11H,2-4,7-8H2,1H3,(H,16,17)
InChIKeyFICMWZRBDMUMFI-UHFFFAOYSA-N
XLogP2.17
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.77
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze [2-chloro-6-(ethylamino)-4-pyridinyl]-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)methanone 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

[2-chloro-6-(propylamino)-4-pyridinyl]-(4-hydroxy-3-methylpiperidin-1-yl)methanone
CID 114681717
[2-(ethylamino)-6-methyl-4-pyridinyl]-(4-hydroxy-3-methylpiperidin-1-yl)methanone
CID 114681687
2-chloro-N-(cyclopentylmethyl)-6-(ethylamino)-N-methylpyridine-4-carboxamide
CID 63657981
2-chloro-N-(cyclobutylmethyl)-6-(ethylamino)-N-methylpyridine-4-carboxamide
CID 62855903
2-chloro-N-ethyl-6-(ethylamino)pyridine-4-carboxamide
CID 62172199
2-chloro-6-(ethylamino)-N-methylpyridine-4-carboxamide
CID 62171489
[2-chloro-6-(propylamino)-4-pyridinyl]-(3-methoxypiperidin-1-yl)methanone
CID 102969355
2-chloro-6-(ethylamino)-N-methyl-N-(oxolan-2-ylmethyl)pyridine-4-carboxamide
CID 62173680
2-chloro-6-(ethylamino)-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]pyridine-4-carboxamide
CID 63274888
(3-bromo-5-chlorophenyl)-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)methanone
CID 103827056
2-chloro-N-cyclopropyl-6-(ethylamino)-N-propylpyridine-4-carboxamide
CID 62169478
2-chloro-N-cyclopentyl-N-ethyl-6-(ethylamino)pyridine-4-carboxamide
CID 62169890

Frequently Asked Questions

What is the IUPAC name of [2-chloro-6-(ethylamino)-4-pyridinyl]-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)methanone?
The IUPAC name of [2-chloro-6-(ethylamino)-4-pyridinyl]-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)methanone (CID 66369750) is [2-chloro-6-(ethylamino)-4-pyridinyl]-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)methanone.
What is the SMILES notation for [2-chloro-6-(ethylamino)-4-pyridinyl]-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)methanone?
The canonical SMILES for [2-chloro-6-(ethylamino)-4-pyridinyl]-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)methanone is CCNc1cc(C(=O)N2CC3CCC(C2)O3)cc(Cl)n1.
What is the InChIKey of [2-chloro-6-(ethylamino)-4-pyridinyl]-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)methanone?
The InChIKey is FICMWZRBDMUMFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN3O2/c1-2-16-13-6-9(5-12(15)17-13)14(19)18-7-10-3-4-11(8-18)20-10/h5-6,10-11H,2-4,7-8H2,1H3,(H,16,17).
What are the key properties of [2-chloro-6-(ethylamino)-4-pyridinyl]-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)methanone?
[2-chloro-6-(ethylamino)-4-pyridinyl]-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)methanone has a molecular weight of 295.77 g/mol, XLogP of 2.17, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-chloro-6-(ethylamino)-4-pyridinyl]-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)methanone is sourced from PubChem (CID 66369750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).