N-[4-[5-amino-2-methoxy-4-(methylamino)phenoxy]-2-pyridinyl]acetamide

C15H18N4O3 — CID 69004947

IUPACN-[4-[5-amino-2-methoxy-4-(methylamino)phenoxy]-2-pyridinyl]acetamide
SMILESCNc1cc(OC)c(Oc2ccnc(NC(C)=O)c2)cc1N
InChIInChI=1S/C15H18N4O3/c1-9(20)19-15-6-10(4-5-18-15)22-14-7-11(16)12(17-2)8-13(14)21-3/h4-8,17H,16H2,1-3H3,(H,18,19,20)
InChIKeyLSOWDUGGCDLRAE-UHFFFAOYSA-N
MW302.33 g/mol
LogP2.46
Rot. Bonds5

About N-[4-[5-amino-2-methoxy-4-(methylamino)phenoxy]-2-pyridinyl]acetamide

N-[4-[5-amino-2-methoxy-4-(methylamino)phenoxy]-2-pyridinyl]acetamide (PubChem CID 69004947) has the molecular formula C15H18N4O3 and a molecular weight of 302.33 g/mol. Its IUPAC name is N-[4-[5-amino-2-methoxy-4-(methylamino)phenoxy]-2-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[4-[5-amino-2-methoxy-4-(methylamino)phenoxy]-2-pyridinyl]acetamide
PubChem CID69004947
Molecular FormulaC15H18N4O3
Molecular Weight302.33 g/mol
Exact Mass302.14
IUPAC NameN-[4-[5-amino-2-methoxy-4-(methylamino)phenoxy]-2-pyridinyl]acetamide
SMILESCNc1cc(OC)c(Oc2ccnc(NC(C)=O)c2)cc1N
InChIInChI=1S/C15H18N4O3/c1-9(20)19-15-6-10(4-5-18-15)22-14-7-11(16)12(17-2)8-13(14)21-3/h4-8,17H,16H2,1-3H3,(H,18,19,20)
InChIKeyLSOWDUGGCDLRAE-UHFFFAOYSA-N
XLogP2.46
TPSA98.50 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 52.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[4-[5-amino-2-methoxy-4-(methylamino)phenoxy]-2-pyridinyl]acetamide?
The IUPAC name of N-[4-[5-amino-2-methoxy-4-(methylamino)phenoxy]-2-pyridinyl]acetamide (CID 69004947) is N-[4-[5-amino-2-methoxy-4-(methylamino)phenoxy]-2-pyridinyl]acetamide.
What is the SMILES notation for N-[4-[5-amino-2-methoxy-4-(methylamino)phenoxy]-2-pyridinyl]acetamide?
The canonical SMILES for N-[4-[5-amino-2-methoxy-4-(methylamino)phenoxy]-2-pyridinyl]acetamide is CNc1cc(OC)c(Oc2ccnc(NC(C)=O)c2)cc1N.
What is the InChIKey of N-[4-[5-amino-2-methoxy-4-(methylamino)phenoxy]-2-pyridinyl]acetamide?
The InChIKey is LSOWDUGGCDLRAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O3/c1-9(20)19-15-6-10(4-5-18-15)22-14-7-11(16)12(17-2)8-13(14)21-3/h4-8,17H,16H2,1-3H3,(H,18,19,20).
What are the key properties of N-[4-[5-amino-2-methoxy-4-(methylamino)phenoxy]-2-pyridinyl]acetamide?
N-[4-[5-amino-2-methoxy-4-(methylamino)phenoxy]-2-pyridinyl]acetamide has a molecular weight of 302.33 g/mol, XLogP of 2.46, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[5-amino-2-methoxy-4-(methylamino)phenoxy]-2-pyridinyl]acetamide is sourced from PubChem (CID 69004947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).