N-(2-chloro-5-methyl-3-pyridinyl)oxolane-2-carboxamide

C11H13ClN2O2 — CID 102979589

IUPACN-(2-chloro-5-methyl-3-pyridinyl)oxolane-2-carboxamide
SMILESCc1cnc(Cl)c(NC(=O)C2CCCO2)c1
InChIInChI=1S/C11H13ClN2O2/c1-7-5-8(10(12)13-6-7)14-11(15)9-3-2-4-16-9/h5-6,9H,2-4H2,1H3,(H,14,15)
InChIKeyYQZGUINOIQBKIO-UHFFFAOYSA-N
MW240.69 g/mol
LogP2.16
Rot. Bonds2

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

N-(2-chloro-5-methyl-3-pyridinyl)oxolane-2-carboxamide (PubChem CID 102979589) has the molecular formula C11H13ClN2O2 and a molecular weight of 240.69 g/mol. Its IUPAC name is N-(2-chloro-5-methyl-3-pyridinyl)oxolane-2-carboxamide.

Molecular Properties

Compound NameN-(2-chloro-5-methyl-3-pyridinyl)oxolane-2-carboxamide
PubChem CID102979589
Molecular FormulaC11H13ClN2O2
Molecular Weight240.69 g/mol
Exact Mass240.07
IUPAC NameN-(2-chloro-5-methyl-3-pyridinyl)oxolane-2-carboxamide
SMILESCc1cnc(Cl)c(NC(=O)C2CCCO2)c1
InChIInChI=1S/C11H13ClN2O2/c1-7-5-8(10(12)13-6-7)14-11(15)9-3-2-4-16-9/h5-6,9H,2-4H2,1H3,(H,14,15)
InChIKeyYQZGUINOIQBKIO-UHFFFAOYSA-N
XLogP2.16
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.69
LogP ≤ 52.16
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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Related Compounds

(2S)-N-[4-methyl-2-[[(2R)-oxolane-2-carbonyl]amino]phenyl]oxolane-2-carboxamide
CID 7926588
N-(2-chloro-3-pyridinyl)oxolane-2-carboxamide
CID 4166852
N-(4-chloro-2-methylphenyl)oxolane-2-carboxamide
CID 42906730
(2S)-N-(3,5-dimethylphenyl)oxolane-2-carboxamide
CID 7923565
N-(4-amino-5-chloro-2-methylphenyl)oxolane-2-carboxamide
CID 113438975
(2R)-N-(2,5-dichlorophenyl)oxolane-2-carboxamide
CID 1086830
N-(5-methyl-1,3-thiazol-2-yl)oxolane-2-carboxamide
CID 2971267
(2S)-N-(1H-imidazol-5-yl)oxolane-2-carboxamide
CID 130701743
(2R)-N-(5-bromo-2-methylphenyl)oxolane-2-carboxamide
CID 103849959
3-methyl-4-(oxolane-2-carbonylamino)benzoic acid
CID 16774236
(2R)-N-(2-chloro-4-pyridinyl)oxolane-2-carboxamide
CID 129370669
N-(2-bromo-5-chlorophenyl)oxolane-2-carboxamide
CID 81272173

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-5-methyl-3-pyridinyl)oxolane-2-carboxamide?
The IUPAC name of N-(2-chloro-5-methyl-3-pyridinyl)oxolane-2-carboxamide (CID 102979589) is N-(2-chloro-5-methyl-3-pyridinyl)oxolane-2-carboxamide.
What is the SMILES notation for N-(2-chloro-5-methyl-3-pyridinyl)oxolane-2-carboxamide?
The canonical SMILES for N-(2-chloro-5-methyl-3-pyridinyl)oxolane-2-carboxamide is Cc1cnc(Cl)c(NC(=O)C2CCCO2)c1.
What is the InChIKey of N-(2-chloro-5-methyl-3-pyridinyl)oxolane-2-carboxamide?
The InChIKey is YQZGUINOIQBKIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN2O2/c1-7-5-8(10(12)13-6-7)14-11(15)9-3-2-4-16-9/h5-6,9H,2-4H2,1H3,(H,14,15).
What are the key properties of N-(2-chloro-5-methyl-3-pyridinyl)oxolane-2-carboxamide?
N-(2-chloro-5-methyl-3-pyridinyl)oxolane-2-carboxamide has a molecular weight of 240.69 g/mol, XLogP of 2.16, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-5-methyl-3-pyridinyl)oxolane-2-carboxamide is sourced from PubChem (CID 102979589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).