N-[5-(2,4-dimethylanilino)-2-pyridinyl]oxolane-2-carboxamide

C18H21N3O2 — CID 113031947

IUPACN-[5-(2,4-dimethylanilino)-2-pyridinyl]oxolane-2-carboxamide
SMILESCc1ccc(Nc2ccc(NC(=O)C3CCCO3)nc2)c(C)c1
InChIInChI=1S/C18H21N3O2/c1-12-5-7-15(13(2)10-12)20-14-6-8-17(19-11-14)21-18(22)16-4-3-9-23-16/h5-8,10-11,16,20H,3-4,9H2,1-2H3,(H,19,21,22)
InChIKeyXBXCMAHPWYJNJH-UHFFFAOYSA-N
MW311.39 g/mol
LogP3.56
Rot. Bonds4

About N-[5-(2,4-dimethylanilino)-2-pyridinyl]oxolane-2-carboxamide

N-[5-(2,4-dimethylanilino)-2-pyridinyl]oxolane-2-carboxamide (PubChem CID 113031947) has the molecular formula C18H21N3O2 and a molecular weight of 311.39 g/mol. Its IUPAC name is N-[5-(2,4-dimethylanilino)-2-pyridinyl]oxolane-2-carboxamide.

Molecular Properties

Compound NameN-[5-(2,4-dimethylanilino)-2-pyridinyl]oxolane-2-carboxamide
PubChem CID113031947
Molecular FormulaC18H21N3O2
Molecular Weight311.39 g/mol
Exact Mass311.16
IUPAC NameN-[5-(2,4-dimethylanilino)-2-pyridinyl]oxolane-2-carboxamide
SMILESCc1ccc(Nc2ccc(NC(=O)C3CCCO3)nc2)c(C)c1
InChIInChI=1S/C18H21N3O2/c1-12-5-7-15(13(2)10-12)20-14-6-8-17(19-11-14)21-18(22)16-4-3-9-23-16/h5-8,10-11,16,20H,3-4,9H2,1-2H3,(H,19,21,22)
InChIKeyXBXCMAHPWYJNJH-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-[5-(2,3-dimethylanilino)-2-pyridinyl]oxolane-2-carboxamide
CID 113032322
N-[5-(2-chloro-4,6-dimethylanilino)-2-pyridinyl]oxolane-2-carboxamide
CID 113033729
N-[5-[4-chloro-2-(trifluoromethyl)anilino]-2-pyridinyl]oxolane-2-carboxamide
CID 113036581
N-[6-(2,3-dimethylanilino)-3-pyridinyl]oxolane-2-carboxamide
CID 113017251
methyl 3-[[6-(oxolane-2-carbonylamino)-3-pyridinyl]amino]benzoate
CID 113035315
N-[5-(2-phenoxyanilino)-2-pyridinyl]oxolane-2-carboxamide
CID 113036541
N-[5-(cycloheptylamino)-2-pyridinyl]oxolane-2-carboxamide
CID 113030095
N-[4-(4-bromo-2-methylanilino)phenyl]oxolane-2-carboxamide
CID 112989098
N-[6-(2-bromo-4-methylanilino)pyridazin-3-yl]oxolane-2-carboxamide
CID 113050128
N-[5-(4-pyrrolidin-1-ylanilino)-2-pyridinyl]oxolane-2-carboxamide
CID 113035628
N-[5-(2,4-dimethylanilino)-2-pyridinyl]benzamide
CID 113031952
(2S)-N-[4-methyl-2-[[(2R)-oxolane-2-carbonyl]amino]phenyl]oxolane-2-carboxamide
CID 7926588

Frequently Asked Questions

What is the IUPAC name of N-[5-(2,4-dimethylanilino)-2-pyridinyl]oxolane-2-carboxamide?
The IUPAC name of N-[5-(2,4-dimethylanilino)-2-pyridinyl]oxolane-2-carboxamide (CID 113031947) is N-[5-(2,4-dimethylanilino)-2-pyridinyl]oxolane-2-carboxamide.
What is the SMILES notation for N-[5-(2,4-dimethylanilino)-2-pyridinyl]oxolane-2-carboxamide?
The canonical SMILES for N-[5-(2,4-dimethylanilino)-2-pyridinyl]oxolane-2-carboxamide is Cc1ccc(Nc2ccc(NC(=O)C3CCCO3)nc2)c(C)c1.
What is the InChIKey of N-[5-(2,4-dimethylanilino)-2-pyridinyl]oxolane-2-carboxamide?
The InChIKey is XBXCMAHPWYJNJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O2/c1-12-5-7-15(13(2)10-12)20-14-6-8-17(19-11-14)21-18(22)16-4-3-9-23-16/h5-8,10-11,16,20H,3-4,9H2,1-2H3,(H,19,21,22).
What are the key properties of N-[5-(2,4-dimethylanilino)-2-pyridinyl]oxolane-2-carboxamide?
N-[5-(2,4-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-(2,4-dimethylanilino)-2-pyridinyl]oxolane-2-carboxamide is sourced from PubChem (CID 113031947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).