N-[4-amino-5-cyano-6-(2-hydroxyethoxy)-2-pyridinyl]-2-(2,5-dimethoxyphenyl)acetamide

C18H20N4O5 — CID 11559766

IUPACN-[4-amino-5-cyano-6-(2-hydroxyethoxy)-2-pyridinyl]-2-(2,5-dimethoxyphenyl)acetamide
SMILESCOc1ccc(OC)c(CC(=O)Nc2cc(N)c(C#N)c(OCCO)n2)c1
InChIInChI=1S/C18H20N4O5/c1-25-12-3-4-15(26-2)11(7-12)8-17(24)21-16-9-14(20)13(10-19)18(22-16)27-6-5-23/h3-4,7,9,23H,5-6,8H2,1-2H3,(H3,20,21,22,24)
InChIKeyQLCYBHBQDYLQLC-UHFFFAOYSA-N
MW372.38 g/mol
LogP1.10
Rot. Bonds8

About N-[4-amino-5-cyano-6-(2-hydroxyethoxy)-2-pyridinyl]-2-(2,5-dimethoxyphenyl)acetamide

N-[4-amino-5-cyano-6-(2-hydroxyethoxy)-2-pyridinyl]-2-(2,5-dimethoxyphenyl)acetamide (PubChem CID 11559766) has the molecular formula C18H20N4O5 and a molecular weight of 372.38 g/mol. Its IUPAC name is N-[4-amino-5-cyano-6-(2-hydroxyethoxy)-2-pyridinyl]-2-(2,5-dimethoxyphenyl)acetamide.

Molecular Properties

Compound NameN-[4-amino-5-cyano-6-(2-hydroxyethoxy)-2-pyridinyl]-2-(2,5-dimethoxyphenyl)acetamide
PubChem CID11559766
Molecular FormulaC18H20N4O5
Molecular Weight372.38 g/mol
Exact Mass372.14
IUPAC NameN-[4-amino-5-cyano-6-(2-hydroxyethoxy)-2-pyridinyl]-2-(2,5-dimethoxyphenyl)acetamide
SMILESCOc1ccc(OC)c(CC(=O)Nc2cc(N)c(C#N)c(OCCO)n2)c1
InChIInChI=1S/C18H20N4O5/c1-25-12-3-4-15(26-2)11(7-12)8-17(24)21-16-9-14(20)13(10-19)18(22-16)27-6-5-23/h3-4,7,9,23H,5-6,8H2,1-2H3,(H3,20,21,22,24)
InChIKeyQLCYBHBQDYLQLC-UHFFFAOYSA-N
XLogP1.10
TPSA139.72 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.38
LogP ≤ 51.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[4-amino-5-cyano-6-(2-hydroxyethoxy)-2-pyridinyl]-2-(2,5-dimethoxyphenyl)acetamide?
The IUPAC name of N-[4-amino-5-cyano-6-(2-hydroxyethoxy)-2-pyridinyl]-2-(2,5-dimethoxyphenyl)acetamide (CID 11559766) is N-[4-amino-5-cyano-6-(2-hydroxyethoxy)-2-pyridinyl]-2-(2,5-dimethoxyphenyl)acetamide.
What is the SMILES notation for N-[4-amino-5-cyano-6-(2-hydroxyethoxy)-2-pyridinyl]-2-(2,5-dimethoxyphenyl)acetamide?
The canonical SMILES for N-[4-amino-5-cyano-6-(2-hydroxyethoxy)-2-pyridinyl]-2-(2,5-dimethoxyphenyl)acetamide is COc1ccc(OC)c(CC(=O)Nc2cc(N)c(C#N)c(OCCO)n2)c1.
What is the InChIKey of N-[4-amino-5-cyano-6-(2-hydroxyethoxy)-2-pyridinyl]-2-(2,5-dimethoxyphenyl)acetamide?
The InChIKey is QLCYBHBQDYLQLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O5/c1-25-12-3-4-15(26-2)11(7-12)8-17(24)21-16-9-14(20)13(10-19)18(22-16)27-6-5-23/h3-4,7,9,23H,5-6,8H2,1-2H3,(H3,20,21,22,24).
What are the key properties of N-[4-amino-5-cyano-6-(2-hydroxyethoxy)-2-pyridinyl]-2-(2,5-dimethoxyphenyl)acetamide?
N-[4-amino-5-cyano-6-(2-hydroxyethoxy)-2-pyridinyl]-2-(2,5-dimethoxyphenyl)acetamide has a molecular weight of 372.38 g/mol, XLogP of 1.10, 8 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-amino-5-cyano-6-(2-hydroxyethoxy)-2-pyridinyl]-2-(2,5-dimethoxyphenyl)acetamide is sourced from PubChem (CID 11559766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).