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

C16H16N4O2 — CID 11558435

IUPACN-(4-amino-5-cyano-6-ethoxy-2-pyridinyl)-2-phenylacetamide
SMILESCCOc1nc(NC(=O)Cc2ccccc2)cc(N)c1C#N
InChIInChI=1S/C16H16N4O2/c1-2-22-16-12(10-17)13(18)9-14(20-16)19-15(21)8-11-6-4-3-5-7-11/h3-7,9H,2,8H2,1H3,(H3,18,19,20,21)
InChIKeyMPULMLDKNWNYOT-UHFFFAOYSA-N
MW296.33 g/mol
LogP2.12
Rot. Bonds5

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

N-(4-amino-5-cyano-6-ethoxy-2-pyridinyl)-2-phenylacetamide (PubChem CID 11558435) has the molecular formula C16H16N4O2 and a molecular weight of 296.33 g/mol. Its IUPAC name is N-(4-amino-5-cyano-6-ethoxy-2-pyridinyl)-2-phenylacetamide.

Molecular Properties

Compound NameN-(4-amino-5-cyano-6-ethoxy-2-pyridinyl)-2-phenylacetamide
PubChem CID11558435
Molecular FormulaC16H16N4O2
Molecular Weight296.33 g/mol
Exact Mass296.13
IUPAC NameN-(4-amino-5-cyano-6-ethoxy-2-pyridinyl)-2-phenylacetamide
SMILESCCOc1nc(NC(=O)Cc2ccccc2)cc(N)c1C#N
InChIInChI=1S/C16H16N4O2/c1-2-22-16-12(10-17)13(18)9-14(20-16)19-15(21)8-11-6-4-3-5-7-11/h3-7,9H,2,8H2,1H3,(H3,18,19,20,21)
InChIKeyMPULMLDKNWNYOT-UHFFFAOYSA-N
XLogP2.12
TPSA101.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 52.12
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-phenylacetamide?
The IUPAC name of N-(4-amino-5-cyano-6-ethoxy-2-pyridinyl)-2-phenylacetamide (CID 11558435) is N-(4-amino-5-cyano-6-ethoxy-2-pyridinyl)-2-phenylacetamide.
What is the SMILES notation for N-(4-amino-5-cyano-6-ethoxy-2-pyridinyl)-2-phenylacetamide?
The canonical SMILES for N-(4-amino-5-cyano-6-ethoxy-2-pyridinyl)-2-phenylacetamide is CCOc1nc(NC(=O)Cc2ccccc2)cc(N)c1C#N.
What is the InChIKey of N-(4-amino-5-cyano-6-ethoxy-2-pyridinyl)-2-phenylacetamide?
The InChIKey is MPULMLDKNWNYOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O2/c1-2-22-16-12(10-17)13(18)9-14(20-16)19-15(21)8-11-6-4-3-5-7-11/h3-7,9H,2,8H2,1H3,(H3,18,19,20,21).
What are the key properties of N-(4-amino-5-cyano-6-ethoxy-2-pyridinyl)-2-phenylacetamide?
N-(4-amino-5-cyano-6-ethoxy-2-pyridinyl)-2-phenylacetamide has a molecular weight of 296.33 g/mol, XLogP of 2.12, 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-phenylacetamide is sourced from PubChem (CID 11558435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).