N-(4-amino-5-cyano-6-ethoxy-2-pyridinyl)-2-(3-methylphenyl)acetamide

C17H18N4O2 — CID 11500561

IUPACN-(4-amino-5-cyano-6-ethoxy-2-pyridinyl)-2-(3-methylphenyl)acetamide
SMILESCCOc1nc(NC(=O)Cc2cccc(C)c2)cc(N)c1C#N
InChIInChI=1S/C17H18N4O2/c1-3-23-17-13(10-18)14(19)9-15(21-17)20-16(22)8-12-6-4-5-11(2)7-12/h4-7,9H,3,8H2,1-2H3,(H3,19,20,21,22)
InChIKeyFPDLLNHKOIBFNW-UHFFFAOYSA-N
MW310.36 g/mol
LogP2.42
Rot. Bonds5

About N-(4-amino-5-cyano-6-ethoxy-2-pyridinyl)-2-(3-methylphenyl)acetamide

N-(4-amino-5-cyano-6-ethoxy-2-pyridinyl)-2-(3-methylphenyl)acetamide (PubChem CID 11500561) has the molecular formula C17H18N4O2 and a molecular weight of 310.36 g/mol. Its IUPAC name is N-(4-amino-5-cyano-6-ethoxy-2-pyridinyl)-2-(3-methylphenyl)acetamide.

Molecular Properties

Compound NameN-(4-amino-5-cyano-6-ethoxy-2-pyridinyl)-2-(3-methylphenyl)acetamide
PubChem CID11500561
Molecular FormulaC17H18N4O2
Molecular Weight310.36 g/mol
Exact Mass310.14
IUPAC NameN-(4-amino-5-cyano-6-ethoxy-2-pyridinyl)-2-(3-methylphenyl)acetamide
SMILESCCOc1nc(NC(=O)Cc2cccc(C)c2)cc(N)c1C#N
InChIInChI=1S/C17H18N4O2/c1-3-23-17-13(10-18)14(19)9-15(21-17)20-16(22)8-12-6-4-5-11(2)7-12/h4-7,9H,3,8H2,1-2H3,(H3,19,20,21,22)
InChIKeyFPDLLNHKOIBFNW-UHFFFAOYSA-N
XLogP2.42
TPSA101.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.36
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-amino-5-cyano-6-ethoxy-2-pyridinyl)-2-(3-methylphenyl)acetamide?
The IUPAC name of N-(4-amino-5-cyano-6-ethoxy-2-pyridinyl)-2-(3-methylphenyl)acetamide (CID 11500561) is N-(4-amino-5-cyano-6-ethoxy-2-pyridinyl)-2-(3-methylphenyl)acetamide.
What is the SMILES notation for N-(4-amino-5-cyano-6-ethoxy-2-pyridinyl)-2-(3-methylphenyl)acetamide?
The canonical SMILES for N-(4-amino-5-cyano-6-ethoxy-2-pyridinyl)-2-(3-methylphenyl)acetamide is CCOc1nc(NC(=O)Cc2cccc(C)c2)cc(N)c1C#N.
What is the InChIKey of N-(4-amino-5-cyano-6-ethoxy-2-pyridinyl)-2-(3-methylphenyl)acetamide?
The InChIKey is FPDLLNHKOIBFNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O2/c1-3-23-17-13(10-18)14(19)9-15(21-17)20-16(22)8-12-6-4-5-11(2)7-12/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-(3-methylphenyl)acetamide?
N-(4-amino-5-cyano-6-ethoxy-2-pyridinyl)-2-(3-methylphenyl)acetamide has a molecular weight of 310.36 g/mol, XLogP of 2.42, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-5-cyano-6-ethoxy-2-pyridinyl)-2-(3-methylphenyl)acetamide is sourced from PubChem (CID 11500561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).