N-[5-(2,3-dimethylanilino)-2-pyridinyl]oxane-4-carboxamide

C19H23N3O2 — CID 113032358

IUPACN-[5-(2,3-dimethylanilino)-2-pyridinyl]oxane-4-carboxamide
SMILESCc1cccc(Nc2ccc(NC(=O)C3CCOCC3)nc2)c1C
InChIInChI=1S/C19H23N3O2/c1-13-4-3-5-17(14(13)2)21-16-6-7-18(20-12-16)22-19(23)15-8-10-24-11-9-15/h3-7,12,15,21H,8-11H2,1-2H3,(H,20,22,23)
InChIKeyCTDDNTJUBJGIHC-UHFFFAOYSA-N
MW325.41 g/mol
LogP3.81
Rot. Bonds4

About N-[5-(2,3-dimethylanilino)-2-pyridinyl]oxane-4-carboxamide

N-[5-(2,3-dimethylanilino)-2-pyridinyl]oxane-4-carboxamide (PubChem CID 113032358) has the molecular formula C19H23N3O2 and a molecular weight of 325.41 g/mol. Its IUPAC name is N-[5-(2,3-dimethylanilino)-2-pyridinyl]oxane-4-carboxamide.

Molecular Properties

Compound NameN-[5-(2,3-dimethylanilino)-2-pyridinyl]oxane-4-carboxamide
PubChem CID113032358
Molecular FormulaC19H23N3O2
Molecular Weight325.41 g/mol
Exact Mass325.18
IUPAC NameN-[5-(2,3-dimethylanilino)-2-pyridinyl]oxane-4-carboxamide
SMILESCc1cccc(Nc2ccc(NC(=O)C3CCOCC3)nc2)c1C
InChIInChI=1S/C19H23N3O2/c1-13-4-3-5-17(14(13)2)21-16-6-7-18(20-12-16)22-19(23)15-8-10-24-11-9-15/h3-7,12,15,21H,8-11H2,1-2H3,(H,20,22,23)
InChIKeyCTDDNTJUBJGIHC-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-[5-(2,3-dimethylanilino)-2-pyridinyl]oxolane-2-carboxamide
CID 113032322
N-[6-(2,6-dimethylanilino)-3-pyridinyl]oxane-4-carboxamide
CID 113017207
N-(2,3-dimethylphenyl)oxane-4-carboxamide
CID 31962553
N-[5-(2,6-dimethylanilino)-2-pyridinyl]cyclobutanecarboxamide
CID 113032282
N-[5-(4-acetylanilino)-2-pyridinyl]oxane-4-carboxamide
CID 113035088
N-[6-(2,3-dimethylanilino)-3-pyridinyl]oxolane-2-carboxamide
CID 113017251
N-[4-(2,3-dimethylanilino)phenyl]cyclobutanecarboxamide
CID 112986454
N-[6-(2-methylanilino)-3-pyridinyl]cyclopropanecarboxamide
CID 113016079
N-[5-(3-cyanoanilino)-2-pyridinyl]oxane-4-carboxamide
CID 113037203
N-[5-(5-chloro-2-methoxyanilino)-2-pyridinyl]oxane-4-carboxamide
CID 113033852
N-[4-(2,6-dimethylanilino)phenyl]oxane-4-carboxamide
CID 112986425
N-[6-(4-bromo-2-methylanilino)-3-pyridinyl]oxane-4-carboxamide
CID 113021511

Frequently Asked Questions

What is the IUPAC name of N-[5-(2,3-dimethylanilino)-2-pyridinyl]oxane-4-carboxamide?
The IUPAC name of N-[5-(2,3-dimethylanilino)-2-pyridinyl]oxane-4-carboxamide (CID 113032358) is N-[5-(2,3-dimethylanilino)-2-pyridinyl]oxane-4-carboxamide.
What is the SMILES notation for N-[5-(2,3-dimethylanilino)-2-pyridinyl]oxane-4-carboxamide?
The canonical SMILES for N-[5-(2,3-dimethylanilino)-2-pyridinyl]oxane-4-carboxamide is Cc1cccc(Nc2ccc(NC(=O)C3CCOCC3)nc2)c1C.
What is the InChIKey of N-[5-(2,3-dimethylanilino)-2-pyridinyl]oxane-4-carboxamide?
The InChIKey is CTDDNTJUBJGIHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O2/c1-13-4-3-5-17(14(13)2)21-16-6-7-18(20-12-16)22-19(23)15-8-10-24-11-9-15/h3-7,12,15,21H,8-11H2,1-2H3,(H,20,22,23).
What are the key properties of N-[5-(2,3-dimethylanilino)-2-pyridinyl]oxane-4-carboxamide?
N-[5-(2,3-dimethylanilino)-2-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-[5-(2,3-dimethylanilino)-2-pyridinyl]oxane-4-carboxamide is sourced from PubChem (CID 113032358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).