N-[5-(4-ethoxyanilino)-2-pyridinyl]acetamide

C15H17N3O2 — CID 113034324

IUPACN-[5-(4-ethoxyanilino)-2-pyridinyl]acetamide
SMILESCCOc1ccc(Nc2ccc(NC(C)=O)nc2)cc1
InChIInChI=1S/C15H17N3O2/c1-3-20-14-7-4-12(5-8-14)18-13-6-9-15(16-10-13)17-11(2)19/h4-10,18H,3H2,1-2H3,(H,16,17,19)
InChIKeyNHYUJTGKFPYLDJ-UHFFFAOYSA-N
MW271.32 g/mol
LogP3.18
Rot. Bonds5

About N-[5-(4-ethoxyanilino)-2-pyridinyl]acetamide

N-[5-(4-ethoxyanilino)-2-pyridinyl]acetamide (PubChem CID 113034324) has the molecular formula C15H17N3O2 and a molecular weight of 271.32 g/mol. Its IUPAC name is N-[5-(4-ethoxyanilino)-2-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[5-(4-ethoxyanilino)-2-pyridinyl]acetamide
PubChem CID113034324
Molecular FormulaC15H17N3O2
Molecular Weight271.32 g/mol
Exact Mass271.13
IUPAC NameN-[5-(4-ethoxyanilino)-2-pyridinyl]acetamide
SMILESCCOc1ccc(Nc2ccc(NC(C)=O)nc2)cc1
InChIInChI=1S/C15H17N3O2/c1-3-20-14-7-4-12(5-8-14)18-13-6-9-15(16-10-13)17-11(2)19/h4-10,18H,3H2,1-2H3,(H,16,17,19)
InChIKeyNHYUJTGKFPYLDJ-UHFFFAOYSA-N
XLogP3.18
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[5-(4-ethoxyanilino)-2-pyridinyl]acetamide?
The IUPAC name of N-[5-(4-ethoxyanilino)-2-pyridinyl]acetamide (CID 113034324) is N-[5-(4-ethoxyanilino)-2-pyridinyl]acetamide.
What is the SMILES notation for N-[5-(4-ethoxyanilino)-2-pyridinyl]acetamide?
The canonical SMILES for N-[5-(4-ethoxyanilino)-2-pyridinyl]acetamide is CCOc1ccc(Nc2ccc(NC(C)=O)nc2)cc1.
What is the InChIKey of N-[5-(4-ethoxyanilino)-2-pyridinyl]acetamide?
The InChIKey is NHYUJTGKFPYLDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2/c1-3-20-14-7-4-12(5-8-14)18-13-6-9-15(16-10-13)17-11(2)19/h4-10,18H,3H2,1-2H3,(H,16,17,19).
What are the key properties of N-[5-(4-ethoxyanilino)-2-pyridinyl]acetamide?
N-[5-(4-ethoxyanilino)-2-pyridinyl]acetamide has a molecular weight of 271.32 g/mol, XLogP of 3.18, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(4-ethoxyanilino)-2-pyridinyl]acetamide is sourced from PubChem (CID 113034324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).