N-(6-chloro-5-methyl-3-pyridinyl)-2-methyloxolane-2-carboxamide

C12H15ClN2O2 — CID 103747057

IUPACN-(6-chloro-5-methyl-3-pyridinyl)-2-methyloxolane-2-carboxamide
SMILESCc1cc(NC(=O)C2(C)CCCO2)cnc1Cl
InChIInChI=1S/C12H15ClN2O2/c1-8-6-9(7-14-10(8)13)15-11(16)12(2)4-3-5-17-12/h6-7H,3-5H2,1-2H3,(H,15,16)
InChIKeyQRGRMYSSVJZBQQ-UHFFFAOYSA-N
MW254.72 g/mol
LogP2.55
Rot. Bonds2

About N-(6-chloro-5-methyl-3-pyridinyl)-2-methyloxolane-2-carboxamide

N-(6-chloro-5-methyl-3-pyridinyl)-2-methyloxolane-2-carboxamide (PubChem CID 103747057) has the molecular formula C12H15ClN2O2 and a molecular weight of 254.72 g/mol. Its IUPAC name is N-(6-chloro-5-methyl-3-pyridinyl)-2-methyloxolane-2-carboxamide.

Molecular Properties

Compound NameN-(6-chloro-5-methyl-3-pyridinyl)-2-methyloxolane-2-carboxamide
PubChem CID103747057
Molecular FormulaC12H15ClN2O2
Molecular Weight254.72 g/mol
Exact Mass254.08
IUPAC NameN-(6-chloro-5-methyl-3-pyridinyl)-2-methyloxolane-2-carboxamide
SMILESCc1cc(NC(=O)C2(C)CCCO2)cnc1Cl
InChIInChI=1S/C12H15ClN2O2/c1-8-6-9(7-14-10(8)13)15-11(16)12(2)4-3-5-17-12/h6-7H,3-5H2,1-2H3,(H,15,16)
InChIKeyQRGRMYSSVJZBQQ-UHFFFAOYSA-N
XLogP2.55
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.72
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(6-chloro-5-methyl-3-pyridinyl)-2-methyloxolane-2-carboxamide?
The IUPAC name of N-(6-chloro-5-methyl-3-pyridinyl)-2-methyloxolane-2-carboxamide (CID 103747057) is N-(6-chloro-5-methyl-3-pyridinyl)-2-methyloxolane-2-carboxamide.
What is the SMILES notation for N-(6-chloro-5-methyl-3-pyridinyl)-2-methyloxolane-2-carboxamide?
The canonical SMILES for N-(6-chloro-5-methyl-3-pyridinyl)-2-methyloxolane-2-carboxamide is Cc1cc(NC(=O)C2(C)CCCO2)cnc1Cl.
What is the InChIKey of N-(6-chloro-5-methyl-3-pyridinyl)-2-methyloxolane-2-carboxamide?
The InChIKey is QRGRMYSSVJZBQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN2O2/c1-8-6-9(7-14-10(8)13)15-11(16)12(2)4-3-5-17-12/h6-7H,3-5H2,1-2H3,(H,15,16).
What are the key properties of N-(6-chloro-5-methyl-3-pyridinyl)-2-methyloxolane-2-carboxamide?
N-(6-chloro-5-methyl-3-pyridinyl)-2-methyloxolane-2-carboxamide has a molecular weight of 254.72 g/mol, XLogP of 2.55, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-chloro-5-methyl-3-pyridinyl)-2-methyloxolane-2-carboxamide is sourced from PubChem (CID 103747057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).