N-[5-(4-acetylanilino)-2-pyridinyl]oxane-4-carboxamide

C19H21N3O3 — CID 113035088

IUPACN-[5-(4-acetylanilino)-2-pyridinyl]oxane-4-carboxamide
SMILESCC(=O)c1ccc(Nc2ccc(NC(=O)C3CCOCC3)nc2)cc1
InChIInChI=1S/C19H21N3O3/c1-13(23)14-2-4-16(5-3-14)21-17-6-7-18(20-12-17)22-19(24)15-8-10-25-11-9-15/h2-7,12,15,21H,8-11H2,1H3,(H,20,22,24)
InChIKeyXPOFZJLLRVDKSK-UHFFFAOYSA-N
MW339.40 g/mol
LogP3.39
Rot. Bonds5

About N-[5-(4-acetylanilino)-2-pyridinyl]oxane-4-carboxamide

N-[5-(4-acetylanilino)-2-pyridinyl]oxane-4-carboxamide (PubChem CID 113035088) has the molecular formula C19H21N3O3 and a molecular weight of 339.40 g/mol. Its IUPAC name is N-[5-(4-acetylanilino)-2-pyridinyl]oxane-4-carboxamide.

Molecular Properties

Compound NameN-[5-(4-acetylanilino)-2-pyridinyl]oxane-4-carboxamide
PubChem CID113035088
Molecular FormulaC19H21N3O3
Molecular Weight339.40 g/mol
Exact Mass339.16
IUPAC NameN-[5-(4-acetylanilino)-2-pyridinyl]oxane-4-carboxamide
SMILESCC(=O)c1ccc(Nc2ccc(NC(=O)C3CCOCC3)nc2)cc1
InChIInChI=1S/C19H21N3O3/c1-13(23)14-2-4-16(5-3-14)21-17-6-7-18(20-12-17)22-19(24)15-8-10-25-11-9-15/h2-7,12,15,21H,8-11H2,1H3,(H,20,22,24)
InChIKeyXPOFZJLLRVDKSK-UHFFFAOYSA-N
XLogP3.39
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[5-(4-acetamidoanilino)-2-pyridinyl]cyclopropanecarboxamide
CID 113035182
N-[5-(2,3-dimethylanilino)-2-pyridinyl]oxane-4-carboxamide
CID 113032358
N-[5-(cyclohexylamino)-2-pyridinyl]oxane-4-carboxamide
CID 113024751
N-[5-(3-cyanoanilino)-2-pyridinyl]oxane-4-carboxamide
CID 113037203
N-[6-(2,6-dimethylanilino)-3-pyridinyl]oxane-4-carboxamide
CID 113017207
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
N-[5-(4-acetylanilino)-2-pyridinyl]-3-methylbutanamide
CID 113035034
N-[5-(4-chloroanilino)-2-pyridinyl]cyclohexanecarboxamide
CID 113033361
N-[5-(3,4-dimethylanilino)-2-pyridinyl]cyclopropanecarboxamide
CID 113032093
N-[4-(4-acetylanilino)phenyl]cyclohexanecarboxamide
CID 112988197
N-[5-[4-(dimethylamino)anilino]-2-pyridinyl]cyclohexanecarboxamide
CID 113035496

Frequently Asked Questions

What is the IUPAC name of N-[5-(4-acetylanilino)-2-pyridinyl]oxane-4-carboxamide?
The IUPAC name of N-[5-(4-acetylanilino)-2-pyridinyl]oxane-4-carboxamide (CID 113035088) is N-[5-(4-acetylanilino)-2-pyridinyl]oxane-4-carboxamide.
What is the SMILES notation for N-[5-(4-acetylanilino)-2-pyridinyl]oxane-4-carboxamide?
The canonical SMILES for N-[5-(4-acetylanilino)-2-pyridinyl]oxane-4-carboxamide is CC(=O)c1ccc(Nc2ccc(NC(=O)C3CCOCC3)nc2)cc1.
What is the InChIKey of N-[5-(4-acetylanilino)-2-pyridinyl]oxane-4-carboxamide?
The InChIKey is XPOFZJLLRVDKSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O3/c1-13(23)14-2-4-16(5-3-14)21-17-6-7-18(20-12-17)22-19(24)15-8-10-25-11-9-15/h2-7,12,15,21H,8-11H2,1H3,(H,20,22,24).
What are the key properties of N-[5-(4-acetylanilino)-2-pyridinyl]oxane-4-carboxamide?
N-[5-(4-acetylanilino)-2-pyridinyl]oxane-4-carboxamide has a molecular weight of 339.40 g/mol, XLogP of 3.39, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(4-acetylanilino)-2-pyridinyl]oxane-4-carboxamide is sourced from PubChem (CID 113035088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).