N-(3-chloro-2-methyl-4-pyridinyl)-3-methyloxolane-2-carboxamide

C12H15ClN2O2 — CID 84599672

IUPACN-(3-chloro-2-methyl-4-pyridinyl)-3-methyloxolane-2-carboxamide
SMILESCc1nccc(NC(=O)C2OCCC2C)c1Cl
InChIInChI=1S/C12H15ClN2O2/c1-7-4-6-17-11(7)12(16)15-9-3-5-14-8(2)10(9)13/h3,5,7,11H,4,6H2,1-2H3,(H,14,15,16)
InChIKeyZNGZAUXKBSLLAX-UHFFFAOYSA-N
MW254.72 g/mol
LogP2.41
Rot. Bonds2

About N-(3-chloro-2-methyl-4-pyridinyl)-3-methyloxolane-2-carboxamide

N-(3-chloro-2-methyl-4-pyridinyl)-3-methyloxolane-2-carboxamide (PubChem CID 84599672) has the molecular formula C12H15ClN2O2 and a molecular weight of 254.72 g/mol. Its IUPAC name is N-(3-chloro-2-methyl-4-pyridinyl)-3-methyloxolane-2-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-2-methyl-4-pyridinyl)-3-methyloxolane-2-carboxamide
PubChem CID84599672
Molecular FormulaC12H15ClN2O2
Molecular Weight254.72 g/mol
Exact Mass254.08
IUPAC NameN-(3-chloro-2-methyl-4-pyridinyl)-3-methyloxolane-2-carboxamide
SMILESCc1nccc(NC(=O)C2OCCC2C)c1Cl
InChIInChI=1S/C12H15ClN2O2/c1-7-4-6-17-11(7)12(16)15-9-3-5-14-8(2)10(9)13/h3,5,7,11H,4,6H2,1-2H3,(H,14,15,16)
InChIKeyZNGZAUXKBSLLAX-UHFFFAOYSA-N
XLogP2.41
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 ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-methyl-4-pyridinyl)-3-methyloxolane-2-carboxamide?
The IUPAC name of N-(3-chloro-2-methyl-4-pyridinyl)-3-methyloxolane-2-carboxamide (CID 84599672) is N-(3-chloro-2-methyl-4-pyridinyl)-3-methyloxolane-2-carboxamide.
What is the SMILES notation for N-(3-chloro-2-methyl-4-pyridinyl)-3-methyloxolane-2-carboxamide?
The canonical SMILES for N-(3-chloro-2-methyl-4-pyridinyl)-3-methyloxolane-2-carboxamide is Cc1nccc(NC(=O)C2OCCC2C)c1Cl.
What is the InChIKey of N-(3-chloro-2-methyl-4-pyridinyl)-3-methyloxolane-2-carboxamide?
The InChIKey is ZNGZAUXKBSLLAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN2O2/c1-7-4-6-17-11(7)12(16)15-9-3-5-14-8(2)10(9)13/h3,5,7,11H,4,6H2,1-2H3,(H,14,15,16).
What are the key properties of N-(3-chloro-2-methyl-4-pyridinyl)-3-methyloxolane-2-carboxamide?
N-(3-chloro-2-methyl-4-pyridinyl)-3-methyloxolane-2-carboxamide has a molecular weight of 254.72 g/mol, XLogP of 2.41, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-methyl-4-pyridinyl)-3-methyloxolane-2-carboxamide is sourced from PubChem (CID 84599672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).