N-[2-[(6-amino-5-ethyl-4-methoxy-2-pyridinyl)sulfinyl]-6-methoxy-4-pyridinyl]acetamide

C16H20N4O4S — CID 122526712

IUPACN-[2-[(6-amino-5-ethyl-4-methoxy-2-pyridinyl)sulfinyl]-6-methoxy-4-pyridinyl]acetamide
SMILESCCc1c(OC)cc(S(=O)c2cc(NC(C)=O)cc(OC)n2)nc1N
InChIInChI=1S/C16H20N4O4S/c1-5-11-12(23-3)8-15(20-16(11)17)25(22)14-7-10(18-9(2)21)6-13(19-14)24-4/h6-8H,5H2,1-4H3,(H2,17,20)(H,18,19,21)
InChIKeyFRTRKCILGKCZEW-UHFFFAOYSA-N
MW364.43 g/mol
LogP1.76
Rot. Bonds6

About N-[2-[(6-amino-5-ethyl-4-methoxy-2-pyridinyl)sulfinyl]-6-methoxy-4-pyridinyl]acetamide

N-[2-[(6-amino-5-ethyl-4-methoxy-2-pyridinyl)sulfinyl]-6-methoxy-4-pyridinyl]acetamide (PubChem CID 122526712) has the molecular formula C16H20N4O4S and a molecular weight of 364.43 g/mol. Its IUPAC name is N-[2-[(6-amino-5-ethyl-4-methoxy-2-pyridinyl)sulfinyl]-6-methoxy-4-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[2-[(6-amino-5-ethyl-4-methoxy-2-pyridinyl)sulfinyl]-6-methoxy-4-pyridinyl]acetamide
PubChem CID122526712
Molecular FormulaC16H20N4O4S
Molecular Weight364.43 g/mol
Exact Mass364.12
IUPAC NameN-[2-[(6-amino-5-ethyl-4-methoxy-2-pyridinyl)sulfinyl]-6-methoxy-4-pyridinyl]acetamide
SMILESCCc1c(OC)cc(S(=O)c2cc(NC(C)=O)cc(OC)n2)nc1N
InChIInChI=1S/C16H20N4O4S/c1-5-11-12(23-3)8-15(20-16(11)17)25(22)14-7-10(18-9(2)21)6-13(19-14)24-4/h6-8H,5H2,1-4H3,(H2,17,20)(H,18,19,21)
InChIKeyFRTRKCILGKCZEW-UHFFFAOYSA-N
XLogP1.76
TPSA116.43 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.43
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[2-[(6-amino-5-ethyl-4-methoxy-2-pyridinyl)sulfinyl]-6-methoxy-4-pyridinyl]acetamide?
The IUPAC name of N-[2-[(6-amino-5-ethyl-4-methoxy-2-pyridinyl)sulfinyl]-6-methoxy-4-pyridinyl]acetamide (CID 122526712) is N-[2-[(6-amino-5-ethyl-4-methoxy-2-pyridinyl)sulfinyl]-6-methoxy-4-pyridinyl]acetamide.
What is the SMILES notation for N-[2-[(6-amino-5-ethyl-4-methoxy-2-pyridinyl)sulfinyl]-6-methoxy-4-pyridinyl]acetamide?
The canonical SMILES for N-[2-[(6-amino-5-ethyl-4-methoxy-2-pyridinyl)sulfinyl]-6-methoxy-4-pyridinyl]acetamide is CCc1c(OC)cc(S(=O)c2cc(NC(C)=O)cc(OC)n2)nc1N.
What is the InChIKey of N-[2-[(6-amino-5-ethyl-4-methoxy-2-pyridinyl)sulfinyl]-6-methoxy-4-pyridinyl]acetamide?
The InChIKey is FRTRKCILGKCZEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O4S/c1-5-11-12(23-3)8-15(20-16(11)17)25(22)14-7-10(18-9(2)21)6-13(19-14)24-4/h6-8H,5H2,1-4H3,(H2,17,20)(H,18,19,21).
What are the key properties of N-[2-[(6-amino-5-ethyl-4-methoxy-2-pyridinyl)sulfinyl]-6-methoxy-4-pyridinyl]acetamide?
N-[2-[(6-amino-5-ethyl-4-methoxy-2-pyridinyl)sulfinyl]-6-methoxy-4-pyridinyl]acetamide has a molecular weight of 364.43 g/mol, XLogP of 1.76, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(6-amino-5-ethyl-4-methoxy-2-pyridinyl)sulfinyl]-6-methoxy-4-pyridinyl]acetamide is sourced from PubChem (CID 122526712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).