N-[6-(2,4-dimethoxyanilino)-3-pyridinyl]oxane-4-carboxamide

C19H23N3O4 — CID 113020060

IUPACN-[6-(2,4-dimethoxyanilino)-3-pyridinyl]oxane-4-carboxamide
SMILESCOc1ccc(Nc2ccc(NC(=O)C3CCOCC3)cn2)c(OC)c1
InChIInChI=1S/C19H23N3O4/c1-24-15-4-5-16(17(11-15)25-2)22-18-6-3-14(12-20-18)21-19(23)13-7-9-26-10-8-13/h3-6,11-13H,7-10H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyGGYXKZLSJCHYIZ-UHFFFAOYSA-N
MW357.41 g/mol
LogP3.21
Rot. Bonds6

About N-[6-(2,4-dimethoxyanilino)-3-pyridinyl]oxane-4-carboxamide

N-[6-(2,4-dimethoxyanilino)-3-pyridinyl]oxane-4-carboxamide (PubChem CID 113020060) has the molecular formula C19H23N3O4 and a molecular weight of 357.41 g/mol. Its IUPAC name is N-[6-(2,4-dimethoxyanilino)-3-pyridinyl]oxane-4-carboxamide.

Molecular Properties

Compound NameN-[6-(2,4-dimethoxyanilino)-3-pyridinyl]oxane-4-carboxamide
PubChem CID113020060
Molecular FormulaC19H23N3O4
Molecular Weight357.41 g/mol
Exact Mass357.17
IUPAC NameN-[6-(2,4-dimethoxyanilino)-3-pyridinyl]oxane-4-carboxamide
SMILESCOc1ccc(Nc2ccc(NC(=O)C3CCOCC3)cn2)c(OC)c1
InChIInChI=1S/C19H23N3O4/c1-24-15-4-5-16(17(11-15)25-2)22-18-6-3-14(12-20-18)21-19(23)13-7-9-26-10-8-13/h3-6,11-13H,7-10H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyGGYXKZLSJCHYIZ-UHFFFAOYSA-N
XLogP3.21
TPSA81.71 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[6-(2,4-dimethoxyanilino)-3-pyridinyl]acetamide
CID 113020010
N-[6-(4-bromo-2-methylanilino)-3-pyridinyl]oxane-4-carboxamide
CID 113021511
N-[6-[(5-methyl-1,2-oxazol-3-yl)amino]-3-pyridinyl]oxane-4-carboxamide
CID 113023357
N-[5-(5-chloro-2-methoxyanilino)-2-pyridinyl]oxane-4-carboxamide
CID 113033852
methyl 3-[[5-(oxane-4-carbonylamino)-2-pyridinyl]amino]benzoate
CID 113020710
N-[6-(2,4-dimethoxyanilino)-3-pyridinyl]furan-2-carboxamide
CID 113020021
N-[6-(4-chloro-2,5-dimethoxyanilino)-3-pyridinyl]cyclohexanecarboxamide
CID 113022471
N-[6-(2,6-dimethylanilino)-3-pyridinyl]oxane-4-carboxamide
CID 113017207
N-[6-[4-(4-methoxyphenyl)piperazin-1-yl]-3-pyridinyl]oxane-4-carboxamide
CID 113016001
1-cyclohexyl-3-[5-(2,4-dimethoxyanilino)-2-pyridinyl]urea
CID 113034718
N-[6-(2-cyanoanilino)-3-pyridinyl]oxane-4-carboxamide
CID 113022700
N-[5-(2,4-dimethoxyanilino)-2-pyridinyl]-2,2-dimethylpropanamide
CID 113034682

Frequently Asked Questions

What is the IUPAC name of N-[6-(2,4-dimethoxyanilino)-3-pyridinyl]oxane-4-carboxamide?
The IUPAC name of N-[6-(2,4-dimethoxyanilino)-3-pyridinyl]oxane-4-carboxamide (CID 113020060) is N-[6-(2,4-dimethoxyanilino)-3-pyridinyl]oxane-4-carboxamide.
What is the SMILES notation for N-[6-(2,4-dimethoxyanilino)-3-pyridinyl]oxane-4-carboxamide?
The canonical SMILES for N-[6-(2,4-dimethoxyanilino)-3-pyridinyl]oxane-4-carboxamide is COc1ccc(Nc2ccc(NC(=O)C3CCOCC3)cn2)c(OC)c1.
What is the InChIKey of N-[6-(2,4-dimethoxyanilino)-3-pyridinyl]oxane-4-carboxamide?
The InChIKey is GGYXKZLSJCHYIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O4/c1-24-15-4-5-16(17(11-15)25-2)22-18-6-3-14(12-20-18)21-19(23)13-7-9-26-10-8-13/h3-6,11-13H,7-10H2,1-2H3,(H,20,22)(H,21,23).
What are the key properties of N-[6-(2,4-dimethoxyanilino)-3-pyridinyl]oxane-4-carboxamide?
N-[6-(2,4-dimethoxyanilino)-3-pyridinyl]oxane-4-carboxamide has a molecular weight of 357.41 g/mol, XLogP of 3.21, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(2,4-dimethoxyanilino)-3-pyridinyl]oxane-4-carboxamide is sourced from PubChem (CID 113020060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).