N-[5-(2-chloro-4,6-dimethylanilino)-2-pyridinyl]oxolane-2-carboxamide

C18H20ClN3O2 — CID 113033729

IUPACN-[5-(2-chloro-4,6-dimethylanilino)-2-pyridinyl]oxolane-2-carboxamide
SMILESCc1cc(C)c(Nc2ccc(NC(=O)C3CCCO3)nc2)c(Cl)c1
InChIInChI=1S/C18H20ClN3O2/c1-11-8-12(2)17(14(19)9-11)21-13-5-6-16(20-10-13)22-18(23)15-4-3-7-24-15/h5-6,8-10,15,21H,3-4,7H2,1-2H3,(H,20,22,23)
InChIKeyQZHZQGRGWZQSML-UHFFFAOYSA-N
MW345.83 g/mol
LogP4.21
Rot. Bonds4

About N-[5-(2-chloro-4,6-dimethylanilino)-2-pyridinyl]oxolane-2-carboxamide

N-[5-(2-chloro-4,6-dimethylanilino)-2-pyridinyl]oxolane-2-carboxamide (PubChem CID 113033729) has the molecular formula C18H20ClN3O2 and a molecular weight of 345.83 g/mol. Its IUPAC name is N-[5-(2-chloro-4,6-dimethylanilino)-2-pyridinyl]oxolane-2-carboxamide.

Molecular Properties

Compound NameN-[5-(2-chloro-4,6-dimethylanilino)-2-pyridinyl]oxolane-2-carboxamide
PubChem CID113033729
Molecular FormulaC18H20ClN3O2
Molecular Weight345.83 g/mol
Exact Mass345.12
IUPAC NameN-[5-(2-chloro-4,6-dimethylanilino)-2-pyridinyl]oxolane-2-carboxamide
SMILESCc1cc(C)c(Nc2ccc(NC(=O)C3CCCO3)nc2)c(Cl)c1
InChIInChI=1S/C18H20ClN3O2/c1-11-8-12(2)17(14(19)9-11)21-13-5-6-16(20-10-13)22-18(23)15-4-3-7-24-15/h5-6,8-10,15,21H,3-4,7H2,1-2H3,(H,20,22,23)
InChIKeyQZHZQGRGWZQSML-UHFFFAOYSA-N
XLogP4.21
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.83
LogP ≤ 54.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[5-(2,4-dimethylanilino)-2-pyridinyl]oxolane-2-carboxamide
CID 113031947
N-[5-(2,3-dimethylanilino)-2-pyridinyl]oxolane-2-carboxamide
CID 113032322
N-[5-(4-pyrrolidin-1-ylanilino)-2-pyridinyl]oxolane-2-carboxamide
CID 113035628
methyl 3-[[6-(oxolane-2-carbonylamino)-3-pyridinyl]amino]benzoate
CID 113035315
N-[5-(cycloheptylamino)-2-pyridinyl]oxolane-2-carboxamide
CID 113030095
N-[5-[4-chloro-2-(trifluoromethyl)anilino]-2-pyridinyl]oxolane-2-carboxamide
CID 113036581
N-[5-(2-chloro-4,6-dimethylanilino)-2-pyridinyl]furan-2-carboxamide
CID 113033730
(2S)-N-(5-bromo-2-pyridinyl)oxolane-2-carboxamide
CID 7346608
N-[6-(2,3-dimethylanilino)-3-pyridinyl]oxolane-2-carboxamide
CID 113017251
N-[6-(ethylamino)-3-pyridinyl]oxolane-2-carboxamide
CID 115268574
N-[4-(3,5-dimethylanilino)phenyl]oxolane-2-carboxamide
CID 112986386
(2S)-N-(5-iodo-2-pyridinyl)oxolane-2-carboxamide
CID 103873257

Frequently Asked Questions

What is the IUPAC name of N-[5-(2-chloro-4,6-dimethylanilino)-2-pyridinyl]oxolane-2-carboxamide?
The IUPAC name of N-[5-(2-chloro-4,6-dimethylanilino)-2-pyridinyl]oxolane-2-carboxamide (CID 113033729) is N-[5-(2-chloro-4,6-dimethylanilino)-2-pyridinyl]oxolane-2-carboxamide.
What is the SMILES notation for N-[5-(2-chloro-4,6-dimethylanilino)-2-pyridinyl]oxolane-2-carboxamide?
The canonical SMILES for N-[5-(2-chloro-4,6-dimethylanilino)-2-pyridinyl]oxolane-2-carboxamide is Cc1cc(C)c(Nc2ccc(NC(=O)C3CCCO3)nc2)c(Cl)c1.
What is the InChIKey of N-[5-(2-chloro-4,6-dimethylanilino)-2-pyridinyl]oxolane-2-carboxamide?
The InChIKey is QZHZQGRGWZQSML-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN3O2/c1-11-8-12(2)17(14(19)9-11)21-13-5-6-16(20-10-13)22-18(23)15-4-3-7-24-15/h5-6,8-10,15,21H,3-4,7H2,1-2H3,(H,20,22,23).
What are the key properties of N-[5-(2-chloro-4,6-dimethylanilino)-2-pyridinyl]oxolane-2-carboxamide?
N-[5-(2-chloro-4,6-dimethylanilino)-2-pyridinyl]oxolane-2-carboxamide has a molecular weight of 345.83 g/mol, XLogP of 4.21, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2-chloro-4,6-dimethylanilino)-2-pyridinyl]oxolane-2-carboxamide is sourced from PubChem (CID 113033729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).