N-(2-chloro-3-pyridinyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide

C12H11ClN4O2 — CID 90536961

IUPACN-(2-chloro-3-pyridinyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide
SMILESO=C(Nc1cccnc1Cl)c1cc2n(n1)CCCO2
InChIInChI=1S/C12H11ClN4O2/c13-11-8(3-1-4-14-11)15-12(18)9-7-10-17(16-9)5-2-6-19-10/h1,3-4,7H,2,5-6H2,(H,15,18)
InChIKeyJIWPUFUERPUMKW-UHFFFAOYSA-N
MW278.70 g/mol
LogP1.97
Rot. Bonds2

About N-(2-chloro-3-pyridinyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide

N-(2-chloro-3-pyridinyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide (PubChem CID 90536961) has the molecular formula C12H11ClN4O2 and a molecular weight of 278.70 g/mol. Its IUPAC name is N-(2-chloro-3-pyridinyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide.

Molecular Properties

Compound NameN-(2-chloro-3-pyridinyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide
PubChem CID90536961
Molecular FormulaC12H11ClN4O2
Molecular Weight278.70 g/mol
Exact Mass278.06
IUPAC NameN-(2-chloro-3-pyridinyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide
SMILESO=C(Nc1cccnc1Cl)c1cc2n(n1)CCCO2
InChIInChI=1S/C12H11ClN4O2/c13-11-8(3-1-4-14-11)15-12(18)9-7-10-17(16-9)5-2-6-19-10/h1,3-4,7H,2,5-6H2,(H,15,18)
InChIKeyJIWPUFUERPUMKW-UHFFFAOYSA-N
XLogP1.97
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.70
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-(2-chloro-3-pyridinyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide with MolForge

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Related Compounds

N-quinolin-8-yl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide
CID 71789372
N-(2-carbamoylphenyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide
CID 71789320
N-(2-methylsulfanylphenyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide
CID 71789317
N-(5-chloro-2-cyanophenyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide
CID 90536857
N-(2,4,6-trimethylphenyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide
CID 90536897
N-(3-chloro-2-morpholin-4-ylphenyl)-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide
CID 126811432
N-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide
CID 155967186
N-(2-methyl-5-nitrophenyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide
CID 90536892
N-(1-benzylpyrazol-3-yl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide
CID 91959265
N-[5-methyl-6-(4-methylpiperazin-1-yl)-2-pyridinyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide
CID 171492021
N-(3-fluoro-5-pyrrolidin-1-ylphenyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide
CID 100640945
N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide
CID 90536712

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-3-pyridinyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide?
The IUPAC name of N-(2-chloro-3-pyridinyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide (CID 90536961) is N-(2-chloro-3-pyridinyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide.
What is the SMILES notation for N-(2-chloro-3-pyridinyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide?
The canonical SMILES for N-(2-chloro-3-pyridinyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide is O=C(Nc1cccnc1Cl)c1cc2n(n1)CCCO2.
What is the InChIKey of N-(2-chloro-3-pyridinyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide?
The InChIKey is JIWPUFUERPUMKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN4O2/c13-11-8(3-1-4-14-11)15-12(18)9-7-10-17(16-9)5-2-6-19-10/h1,3-4,7H,2,5-6H2,(H,15,18).
What are the key properties of N-(2-chloro-3-pyridinyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide?
N-(2-chloro-3-pyridinyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide has a molecular weight of 278.70 g/mol, XLogP of 1.97, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-3-pyridinyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide is sourced from PubChem (CID 90536961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).