N-[5-(2,3-dimethylanilino)-2-pyridinyl]oxolane-2-carboxamide

C18H21N3O2 — CID 113032322

IUPACN-[5-(2,3-dimethylanilino)-2-pyridinyl]oxolane-2-carboxamide
SMILESCc1cccc(Nc2ccc(NC(=O)C3CCCO3)nc2)c1C
InChIInChI=1S/C18H21N3O2/c1-12-5-3-6-15(13(12)2)20-14-8-9-17(19-11-14)21-18(22)16-7-4-10-23-16/h3,5-6,8-9,11,16,20H,4,7,10H2,1-2H3,(H,19,21,22)
InChIKeyXLZQIYCDDWNPPH-UHFFFAOYSA-N
MW311.39 g/mol
LogP3.56
Rot. Bonds4

About N-[5-(2,3-dimethylanilino)-2-pyridinyl]oxolane-2-carboxamide

N-[5-(2,3-dimethylanilino)-2-pyridinyl]oxolane-2-carboxamide (PubChem CID 113032322) has the molecular formula C18H21N3O2 and a molecular weight of 311.39 g/mol. Its IUPAC name is N-[5-(2,3-dimethylanilino)-2-pyridinyl]oxolane-2-carboxamide.

Molecular Properties

Compound NameN-[5-(2,3-dimethylanilino)-2-pyridinyl]oxolane-2-carboxamide
PubChem CID113032322
Molecular FormulaC18H21N3O2
Molecular Weight311.39 g/mol
Exact Mass311.16
IUPAC NameN-[5-(2,3-dimethylanilino)-2-pyridinyl]oxolane-2-carboxamide
SMILESCc1cccc(Nc2ccc(NC(=O)C3CCCO3)nc2)c1C
InChIInChI=1S/C18H21N3O2/c1-12-5-3-6-15(13(12)2)20-14-8-9-17(19-11-14)21-18(22)16-7-4-10-23-16/h3,5-6,8-9,11,16,20H,4,7,10H2,1-2H3,(H,19,21,22)
InChIKeyXLZQIYCDDWNPPH-UHFFFAOYSA-N
XLogP3.56
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.39
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[6-(2,3-dimethylanilino)-3-pyridinyl]oxolane-2-carboxamide
CID 113017251
N-[5-(2,3-dimethylanilino)-2-pyridinyl]oxane-4-carboxamide
CID 113032358
N-[5-(2,4-dimethylanilino)-2-pyridinyl]oxolane-2-carboxamide
CID 113031947
N-[5-(2-phenoxyanilino)-2-pyridinyl]oxolane-2-carboxamide
CID 113036541
methyl 3-[[6-(oxolane-2-carbonylamino)-3-pyridinyl]amino]benzoate
CID 113035315
N-[5-(2-chloro-4,6-dimethylanilino)-2-pyridinyl]oxolane-2-carboxamide
CID 113033729
N-[5-(cycloheptylamino)-2-pyridinyl]oxolane-2-carboxamide
CID 113030095
N-[5-(4-pyrrolidin-1-ylanilino)-2-pyridinyl]oxolane-2-carboxamide
CID 113035628
(2R)-N-[4-[(2,3-dimethylbenzoyl)amino]phenyl]oxolane-2-carboxamide
CID 37396628
N-[6-(2,6-difluoroanilino)-3-pyridinyl]oxolane-2-carboxamide
CID 113023110
N-[5-[4-chloro-2-(trifluoromethyl)anilino]-2-pyridinyl]oxolane-2-carboxamide
CID 113036581
N-[6-(ethylamino)-3-pyridinyl]oxolane-2-carboxamide
CID 115268574

Frequently Asked Questions

What is the IUPAC name of N-[5-(2,3-dimethylanilino)-2-pyridinyl]oxolane-2-carboxamide?
The IUPAC name of N-[5-(2,3-dimethylanilino)-2-pyridinyl]oxolane-2-carboxamide (CID 113032322) is N-[5-(2,3-dimethylanilino)-2-pyridinyl]oxolane-2-carboxamide.
What is the SMILES notation for N-[5-(2,3-dimethylanilino)-2-pyridinyl]oxolane-2-carboxamide?
The canonical SMILES for N-[5-(2,3-dimethylanilino)-2-pyridinyl]oxolane-2-carboxamide is Cc1cccc(Nc2ccc(NC(=O)C3CCCO3)nc2)c1C.
What is the InChIKey of N-[5-(2,3-dimethylanilino)-2-pyridinyl]oxolane-2-carboxamide?
The InChIKey is XLZQIYCDDWNPPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O2/c1-12-5-3-6-15(13(12)2)20-14-8-9-17(19-11-14)21-18(22)16-7-4-10-23-16/h3,5-6,8-9,11,16,20H,4,7,10H2,1-2H3,(H,19,21,22).
What are the key properties of N-[5-(2,3-dimethylanilino)-2-pyridinyl]oxolane-2-carboxamide?
N-[5-(2,3-dimethylanilino)-2-pyridinyl]oxolane-2-carboxamide has a molecular weight of 311.39 g/mol, XLogP of 3.56, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2,3-dimethylanilino)-2-pyridinyl]oxolane-2-carboxamide is sourced from PubChem (CID 113032322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).