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

C19H23N3O2 — CID 113017207

IUPACN-[6-(2,6-dimethylanilino)-3-pyridinyl]oxane-4-carboxamide
SMILESCc1cccc(C)c1Nc1ccc(NC(=O)C2CCOCC2)cn1
InChIInChI=1S/C19H23N3O2/c1-13-4-3-5-14(2)18(13)22-17-7-6-16(12-20-17)21-19(23)15-8-10-24-11-9-15/h3-7,12,15H,8-11H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyWZYYEFVHLIRSHQ-UHFFFAOYSA-N
MW325.41 g/mol
LogP3.81
Rot. Bonds4

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

N-[6-(2,6-dimethylanilino)-3-pyridinyl]oxane-4-carboxamide (PubChem CID 113017207) has the molecular formula C19H23N3O2 and a molecular weight of 325.41 g/mol. Its IUPAC name is N-[6-(2,6-dimethylanilino)-3-pyridinyl]oxane-4-carboxamide.

Molecular Properties

Compound NameN-[6-(2,6-dimethylanilino)-3-pyridinyl]oxane-4-carboxamide
PubChem CID113017207
Molecular FormulaC19H23N3O2
Molecular Weight325.41 g/mol
Exact Mass325.18
IUPAC NameN-[6-(2,6-dimethylanilino)-3-pyridinyl]oxane-4-carboxamide
SMILESCc1cccc(C)c1Nc1ccc(NC(=O)C2CCOCC2)cn1
InChIInChI=1S/C19H23N3O2/c1-13-4-3-5-14(2)18(13)22-17-7-6-16(12-20-17)21-19(23)15-8-10-24-11-9-15/h3-7,12,15H,8-11H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyWZYYEFVHLIRSHQ-UHFFFAOYSA-N
XLogP3.81
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(2,6-dimethylanilino)phenyl]oxane-4-carboxamide
CID 112986425
N-[5-(2,3-dimethylanilino)-2-pyridinyl]oxane-4-carboxamide
CID 113032358
N-[6-(2-ethyl-6-methylanilino)-3-pyridinyl]cyclobutanecarboxamide
CID 113017694
N-[5-(2,6-dimethylanilino)-2-pyridinyl]cyclobutanecarboxamide
CID 113032282
N-[6-[(5-methyl-1,2-oxazol-3-yl)amino]-3-pyridinyl]oxane-4-carboxamide
CID 113023357
N-[6-(4-bromo-2-methylanilino)-3-pyridinyl]oxane-4-carboxamide
CID 113021511
methyl 3-[[5-(oxane-4-carbonylamino)-2-pyridinyl]amino]benzoate
CID 113020710
N-[6-(2-methylanilino)-3-pyridinyl]cyclopropanecarboxamide
CID 113016079
N-[6-[3-(trifluoromethyl)anilino]-3-pyridinyl]oxane-4-carboxamide
CID 113020231
N-[6-[2,6-di(propan-2-yl)anilino]-3-pyridinyl]cyclopropanecarboxamide
CID 113021701
N-[6-(2-cyanoanilino)-3-pyridinyl]oxane-4-carboxamide
CID 113022700
N-[6-(2,6-dimethylanilino)pyridazin-3-yl]cyclopropanecarboxamide
CID 113046489

Frequently Asked Questions

What is the IUPAC name of N-[6-(2,6-dimethylanilino)-3-pyridinyl]oxane-4-carboxamide?
The IUPAC name of N-[6-(2,6-dimethylanilino)-3-pyridinyl]oxane-4-carboxamide (CID 113017207) is N-[6-(2,6-dimethylanilino)-3-pyridinyl]oxane-4-carboxamide.
What is the SMILES notation for N-[6-(2,6-dimethylanilino)-3-pyridinyl]oxane-4-carboxamide?
The canonical SMILES for N-[6-(2,6-dimethylanilino)-3-pyridinyl]oxane-4-carboxamide is Cc1cccc(C)c1Nc1ccc(NC(=O)C2CCOCC2)cn1.
What is the InChIKey of N-[6-(2,6-dimethylanilino)-3-pyridinyl]oxane-4-carboxamide?
The InChIKey is WZYYEFVHLIRSHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O2/c1-13-4-3-5-14(2)18(13)22-17-7-6-16(12-20-17)21-19(23)15-8-10-24-11-9-15/h3-7,12,15H,8-11H2,1-2H3,(H,20,22)(H,21,23).
What are the key properties of N-[6-(2,6-dimethylanilino)-3-pyridinyl]oxane-4-carboxamide?
N-[6-(2,6-dimethylanilino)-3-pyridinyl]oxane-4-carboxamide has a molecular weight of 325.41 g/mol, XLogP of 3.81, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(2,6-dimethylanilino)-3-pyridinyl]oxane-4-carboxamide is sourced from PubChem (CID 113017207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).