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

C24H25N3O2 — CID 113035803

IUPACN-[5-(N-benzylanilino)-2-pyridinyl]oxane-4-carboxamide
SMILESO=C(Nc1ccc(N(Cc2ccccc2)c2ccccc2)cn1)C1CCOCC1
InChIInChI=1S/C24H25N3O2/c28-24(20-13-15-29-16-14-20)26-23-12-11-22(17-25-23)27(21-9-5-2-6-10-21)18-19-7-3-1-4-8-19/h1-12,17,20H,13-16,18H2,(H,25,26,28)
InChIKeySOIVBNNBAXQTRT-UHFFFAOYSA-N
MW387.48 g/mol
LogP4.78
Rot. Bonds6

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

N-[5-(N-benzylanilino)-2-pyridinyl]oxane-4-carboxamide (PubChem CID 113035803) has the molecular formula C24H25N3O2 and a molecular weight of 387.48 g/mol. Its IUPAC name is N-[5-(N-benzylanilino)-2-pyridinyl]oxane-4-carboxamide.

Molecular Properties

Compound NameN-[5-(N-benzylanilino)-2-pyridinyl]oxane-4-carboxamide
PubChem CID113035803
Molecular FormulaC24H25N3O2
Molecular Weight387.48 g/mol
Exact Mass387.19
IUPAC NameN-[5-(N-benzylanilino)-2-pyridinyl]oxane-4-carboxamide
SMILESO=C(Nc1ccc(N(Cc2ccccc2)c2ccccc2)cn1)C1CCOCC1
InChIInChI=1S/C24H25N3O2/c28-24(20-13-15-29-16-14-20)26-23-12-11-22(17-25-23)27(21-9-5-2-6-10-21)18-19-7-3-1-4-8-19/h1-12,17,20H,13-16,18H2,(H,25,26,28)
InChIKeySOIVBNNBAXQTRT-UHFFFAOYSA-N
XLogP4.78
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.48
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[5-(N-benzylanilino)-2-pyridinyl]oxane-4-carboxamide?
The IUPAC name of N-[5-(N-benzylanilino)-2-pyridinyl]oxane-4-carboxamide (CID 113035803) is N-[5-(N-benzylanilino)-2-pyridinyl]oxane-4-carboxamide.
What is the SMILES notation for N-[5-(N-benzylanilino)-2-pyridinyl]oxane-4-carboxamide?
The canonical SMILES for N-[5-(N-benzylanilino)-2-pyridinyl]oxane-4-carboxamide is O=C(Nc1ccc(N(Cc2ccccc2)c2ccccc2)cn1)C1CCOCC1.
What is the InChIKey of N-[5-(N-benzylanilino)-2-pyridinyl]oxane-4-carboxamide?
The InChIKey is SOIVBNNBAXQTRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O2/c28-24(20-13-15-29-16-14-20)26-23-12-11-22(17-25-23)27(21-9-5-2-6-10-21)18-19-7-3-1-4-8-19/h1-12,17,20H,13-16,18H2,(H,25,26,28).
What are the key properties of N-[5-(N-benzylanilino)-2-pyridinyl]oxane-4-carboxamide?
N-[5-(N-benzylanilino)-2-pyridinyl]oxane-4-carboxamide has a molecular weight of 387.48 g/mol, XLogP of 4.78, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(N-benzylanilino)-2-pyridinyl]oxane-4-carboxamide is sourced from PubChem (CID 113035803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).