4-amino-5-cyano-N-[(2,5-dimethoxyphenyl)methyl]-6-ethoxypyridine-2-carboxamide

C18H20N4O4 — CID 11846459

IUPAC4-amino-5-cyano-N-[(2,5-dimethoxyphenyl)methyl]-6-ethoxypyridine-2-carboxamide
SMILESCCOc1nc(C(=O)NCc2cc(OC)ccc2OC)cc(N)c1C#N
InChIInChI=1S/C18H20N4O4/c1-4-26-18-13(9-19)14(20)8-15(22-18)17(23)21-10-11-7-12(24-2)5-6-16(11)25-3/h5-8H,4,10H2,1-3H3,(H2,20,22)(H,21,23)
InChIKeyOYPFBHGNPRGZHS-UHFFFAOYSA-N
MW356.38 g/mol
LogP1.88
Rot. Bonds7

About 4-amino-5-cyano-N-[(2,5-dimethoxyphenyl)methyl]-6-ethoxypyridine-2-carboxamide

4-amino-5-cyano-N-[(2,5-dimethoxyphenyl)methyl]-6-ethoxypyridine-2-carboxamide (PubChem CID 11846459) has the molecular formula C18H20N4O4 and a molecular weight of 356.38 g/mol. Its IUPAC name is 4-amino-5-cyano-N-[(2,5-dimethoxyphenyl)methyl]-6-ethoxypyridine-2-carboxamide.

Molecular Properties

Compound Name4-amino-5-cyano-N-[(2,5-dimethoxyphenyl)methyl]-6-ethoxypyridine-2-carboxamide
PubChem CID11846459
Molecular FormulaC18H20N4O4
Molecular Weight356.38 g/mol
Exact Mass356.15
IUPAC Name4-amino-5-cyano-N-[(2,5-dimethoxyphenyl)methyl]-6-ethoxypyridine-2-carboxamide
SMILESCCOc1nc(C(=O)NCc2cc(OC)ccc2OC)cc(N)c1C#N
InChIInChI=1S/C18H20N4O4/c1-4-26-18-13(9-19)14(20)8-15(22-18)17(23)21-10-11-7-12(24-2)5-6-16(11)25-3/h5-8H,4,10H2,1-3H3,(H2,20,22)(H,21,23)
InChIKeyOYPFBHGNPRGZHS-UHFFFAOYSA-N
XLogP1.88
TPSA119.49 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.38
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-amino-5-cyano-N-[(2,5-dimethoxyphenyl)methyl]-6-ethoxypyridine-2-carboxamide?
The IUPAC name of 4-amino-5-cyano-N-[(2,5-dimethoxyphenyl)methyl]-6-ethoxypyridine-2-carboxamide (CID 11846459) is 4-amino-5-cyano-N-[(2,5-dimethoxyphenyl)methyl]-6-ethoxypyridine-2-carboxamide.
What is the SMILES notation for 4-amino-5-cyano-N-[(2,5-dimethoxyphenyl)methyl]-6-ethoxypyridine-2-carboxamide?
The canonical SMILES for 4-amino-5-cyano-N-[(2,5-dimethoxyphenyl)methyl]-6-ethoxypyridine-2-carboxamide is CCOc1nc(C(=O)NCc2cc(OC)ccc2OC)cc(N)c1C#N.
What is the InChIKey of 4-amino-5-cyano-N-[(2,5-dimethoxyphenyl)methyl]-6-ethoxypyridine-2-carboxamide?
The InChIKey is OYPFBHGNPRGZHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O4/c1-4-26-18-13(9-19)14(20)8-15(22-18)17(23)21-10-11-7-12(24-2)5-6-16(11)25-3/h5-8H,4,10H2,1-3H3,(H2,20,22)(H,21,23).
What are the key properties of 4-amino-5-cyano-N-[(2,5-dimethoxyphenyl)methyl]-6-ethoxypyridine-2-carboxamide?
4-amino-5-cyano-N-[(2,5-dimethoxyphenyl)methyl]-6-ethoxypyridine-2-carboxamide has a molecular weight of 356.38 g/mol, XLogP of 1.88, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-cyano-N-[(2,5-dimethoxyphenyl)methyl]-6-ethoxypyridine-2-carboxamide is sourced from PubChem (CID 11846459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).