N-(4-amino-5-cyano-6-ethoxy-2-pyridinyl)-2-(4-methoxyphenyl)acetamide

C17H18N4O3 — CID 11602291

IUPACN-(4-amino-5-cyano-6-ethoxy-2-pyridinyl)-2-(4-methoxyphenyl)acetamide
SMILESCCOc1nc(NC(=O)Cc2ccc(OC)cc2)cc(N)c1C#N
InChIInChI=1S/C17H18N4O3/c1-3-24-17-13(10-18)14(19)9-15(21-17)20-16(22)8-11-4-6-12(23-2)7-5-11/h4-7,9H,3,8H2,1-2H3,(H3,19,20,21,22)
InChIKeyABBHPRNOFIXTQU-UHFFFAOYSA-N
MW326.36 g/mol
LogP2.12
Rot. Bonds6

About N-(4-amino-5-cyano-6-ethoxy-2-pyridinyl)-2-(4-methoxyphenyl)acetamide

N-(4-amino-5-cyano-6-ethoxy-2-pyridinyl)-2-(4-methoxyphenyl)acetamide (PubChem CID 11602291) has the molecular formula C17H18N4O3 and a molecular weight of 326.36 g/mol. Its IUPAC name is N-(4-amino-5-cyano-6-ethoxy-2-pyridinyl)-2-(4-methoxyphenyl)acetamide.

Molecular Properties

Compound NameN-(4-amino-5-cyano-6-ethoxy-2-pyridinyl)-2-(4-methoxyphenyl)acetamide
PubChem CID11602291
Molecular FormulaC17H18N4O3
Molecular Weight326.36 g/mol
Exact Mass326.14
IUPAC NameN-(4-amino-5-cyano-6-ethoxy-2-pyridinyl)-2-(4-methoxyphenyl)acetamide
SMILESCCOc1nc(NC(=O)Cc2ccc(OC)cc2)cc(N)c1C#N
InChIInChI=1S/C17H18N4O3/c1-3-24-17-13(10-18)14(19)9-15(21-17)20-16(22)8-11-4-6-12(23-2)7-5-11/h4-7,9H,3,8H2,1-2H3,(H3,19,20,21,22)
InChIKeyABBHPRNOFIXTQU-UHFFFAOYSA-N
XLogP2.12
TPSA110.26 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.36
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(4-amino-5-cyano-6-ethoxy-2-pyridinyl)-2-(4-methoxyphenyl)acetamide?
The IUPAC name of N-(4-amino-5-cyano-6-ethoxy-2-pyridinyl)-2-(4-methoxyphenyl)acetamide (CID 11602291) is N-(4-amino-5-cyano-6-ethoxy-2-pyridinyl)-2-(4-methoxyphenyl)acetamide.
What is the SMILES notation for N-(4-amino-5-cyano-6-ethoxy-2-pyridinyl)-2-(4-methoxyphenyl)acetamide?
The canonical SMILES for N-(4-amino-5-cyano-6-ethoxy-2-pyridinyl)-2-(4-methoxyphenyl)acetamide is CCOc1nc(NC(=O)Cc2ccc(OC)cc2)cc(N)c1C#N.
What is the InChIKey of N-(4-amino-5-cyano-6-ethoxy-2-pyridinyl)-2-(4-methoxyphenyl)acetamide?
The InChIKey is ABBHPRNOFIXTQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O3/c1-3-24-17-13(10-18)14(19)9-15(21-17)20-16(22)8-11-4-6-12(23-2)7-5-11/h4-7,9H,3,8H2,1-2H3,(H3,19,20,21,22).
What are the key properties of N-(4-amino-5-cyano-6-ethoxy-2-pyridinyl)-2-(4-methoxyphenyl)acetamide?
N-(4-amino-5-cyano-6-ethoxy-2-pyridinyl)-2-(4-methoxyphenyl)acetamide has a molecular weight of 326.36 g/mol, XLogP of 2.12, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-5-cyano-6-ethoxy-2-pyridinyl)-2-(4-methoxyphenyl)acetamide is sourced from PubChem (CID 11602291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).