6-amino-N-(2-chloro-4-methyl-3-pyridinyl)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptane-6-carboxamide

C15H20ClN3O2 — CID 114946248

IUPAC6-amino-N-(2-chloro-4-methyl-3-pyridinyl)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptane-6-carboxamide
SMILESCc1ccnc(Cl)c1NC(=O)C1(N)C2CCOC2C1(C)C
InChIInChI=1S/C15H20ClN3O2/c1-8-4-6-18-12(16)10(8)19-13(20)15(17)9-5-7-21-11(9)14(15,2)3/h4,6,9,11H,5,7,17H2,1-3H3,(H,19,20)
InChIKeyIDOLCGJNNBOACY-UHFFFAOYSA-N
MW309.80 g/mol
LogP2.12
Rot. Bonds2

About 6-amino-N-(2-chloro-4-methyl-3-pyridinyl)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptane-6-carboxamide

6-amino-N-(2-chloro-4-methyl-3-pyridinyl)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptane-6-carboxamide (PubChem CID 114946248) has the molecular formula C15H20ClN3O2 and a molecular weight of 309.80 g/mol. Its IUPAC name is 6-amino-N-(2-chloro-4-methyl-3-pyridinyl)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptane-6-carboxamide.

Molecular Properties

Compound Name6-amino-N-(2-chloro-4-methyl-3-pyridinyl)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptane-6-carboxamide
PubChem CID114946248
Molecular FormulaC15H20ClN3O2
Molecular Weight309.80 g/mol
Exact Mass309.12
IUPAC Name6-amino-N-(2-chloro-4-methyl-3-pyridinyl)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptane-6-carboxamide
SMILESCc1ccnc(Cl)c1NC(=O)C1(N)C2CCOC2C1(C)C
InChIInChI=1S/C15H20ClN3O2/c1-8-4-6-18-12(16)10(8)19-13(20)15(17)9-5-7-21-11(9)14(15,2)3/h4,6,9,11H,5,7,17H2,1-3H3,(H,19,20)
InChIKeyIDOLCGJNNBOACY-UHFFFAOYSA-N
XLogP2.12
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.80
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 6-amino-N-(2-chloro-4-methyl-3-pyridinyl)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptane-6-carboxamide with MolForge

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Related Compounds

6-amino-N-(2,6-difluorophenyl)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptane-6-carboxamide
CID 114945252
6-amino-N-(5-bromo-3-methyl-2-pyridinyl)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptane-6-carboxamide
CID 114946546
6-amino-N-(2-fluoro-4-methylphenyl)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptane-6-carboxamide
CID 114945241
6-amino-N-(2-bromo-3-methylphenyl)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptane-6-carboxamide
CID 114946445
7-amino-8,8-dimethyl-N-pyrimidin-2-yl-2-oxabicyclo[4.2.0]octane-7-carboxamide
CID 114945201
7-amino-8,8-dimethyl-N-(3-methyl-4-pyridinyl)-2-oxabicyclo[4.2.0]octane-7-carboxamide
CID 114946068
6-amino-N-(3,4-dimethyl-1,2-oxazol-5-yl)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptane-6-carboxamide
CID 114946250
6-amino-N-(3-bromophenyl)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptane-6-carboxamide
CID 114945125
6-amino-7,7-dimethyl-N-[(1R)-1-pyridin-2-ylethyl]-2-oxabicyclo[3.2.0]heptane-6-carboxamide
CID 104985291
7-amino-8,8-dimethyl-N-(5-methyl-1H-pyrazol-3-yl)-2-oxabicyclo[4.2.0]octane-7-carboxamide
CID 114946084
6-amino-7,7-dimethyl-N-(5-propyl-1H-pyrazol-3-yl)-2-oxabicyclo[3.2.0]heptane-6-carboxamide
CID 114946605
6-amino-N-tert-butyl-7,7-dimethyl-2-oxabicyclo[3.2.0]heptane-6-carboxamide
CID 114945014

Frequently Asked Questions

What is the IUPAC name of 6-amino-N-(2-chloro-4-methyl-3-pyridinyl)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptane-6-carboxamide?
The IUPAC name of 6-amino-N-(2-chloro-4-methyl-3-pyridinyl)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptane-6-carboxamide (CID 114946248) is 6-amino-N-(2-chloro-4-methyl-3-pyridinyl)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptane-6-carboxamide.
What is the SMILES notation for 6-amino-N-(2-chloro-4-methyl-3-pyridinyl)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptane-6-carboxamide?
The canonical SMILES for 6-amino-N-(2-chloro-4-methyl-3-pyridinyl)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptane-6-carboxamide is Cc1ccnc(Cl)c1NC(=O)C1(N)C2CCOC2C1(C)C.
What is the InChIKey of 6-amino-N-(2-chloro-4-methyl-3-pyridinyl)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptane-6-carboxamide?
The InChIKey is IDOLCGJNNBOACY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClN3O2/c1-8-4-6-18-12(16)10(8)19-13(20)15(17)9-5-7-21-11(9)14(15,2)3/h4,6,9,11H,5,7,17H2,1-3H3,(H,19,20).
What are the key properties of 6-amino-N-(2-chloro-4-methyl-3-pyridinyl)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptane-6-carboxamide?
6-amino-N-(2-chloro-4-methyl-3-pyridinyl)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptane-6-carboxamide has a molecular weight of 309.80 g/mol, XLogP of 2.12, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-N-(2-chloro-4-methyl-3-pyridinyl)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptane-6-carboxamide is sourced from PubChem (CID 114946248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).