N-(3-cyano-4,6-dimethyl-2-pyridinyl)-N-phenylacetamide

C16H15N3O — CID 740890

IUPACN-(3-cyano-4,6-dimethyl-2-pyridinyl)-N-phenylacetamide
SMILESCC(=O)N(c1ccccc1)c1nc(C)cc(C)c1C#N
InChIInChI=1S/C16H15N3O/c1-11-9-12(2)18-16(15(11)10-17)19(13(3)20)14-7-5-4-6-8-14/h4-9H,1-3H3
InChIKeyPKCPABFZDJFEQC-UHFFFAOYSA-N
MW265.32 g/mol
LogP3.25
Rot. Bonds2

About N-(3-cyano-4,6-dimethyl-2-pyridinyl)-N-phenylacetamide

N-(3-cyano-4,6-dimethyl-2-pyridinyl)-N-phenylacetamide (PubChem CID 740890) has the molecular formula C16H15N3O and a molecular weight of 265.32 g/mol. Its IUPAC name is N-(3-cyano-4,6-dimethyl-2-pyridinyl)-N-phenylacetamide.

Molecular Properties

Compound NameN-(3-cyano-4,6-dimethyl-2-pyridinyl)-N-phenylacetamide
PubChem CID740890
Molecular FormulaC16H15N3O
Molecular Weight265.32 g/mol
Exact Mass265.12
IUPAC NameN-(3-cyano-4,6-dimethyl-2-pyridinyl)-N-phenylacetamide
SMILESCC(=O)N(c1ccccc1)c1nc(C)cc(C)c1C#N
InChIInChI=1S/C16H15N3O/c1-11-9-12(2)18-16(15(11)10-17)19(13(3)20)14-7-5-4-6-8-14/h4-9H,1-3H3
InChIKeyPKCPABFZDJFEQC-UHFFFAOYSA-N
XLogP3.25
TPSA56.99 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-cyano-4,6-dimethyl-2-pyridinyl)-N-phenylacetamide?
The IUPAC name of N-(3-cyano-4,6-dimethyl-2-pyridinyl)-N-phenylacetamide (CID 740890) is N-(3-cyano-4,6-dimethyl-2-pyridinyl)-N-phenylacetamide.
What is the SMILES notation for N-(3-cyano-4,6-dimethyl-2-pyridinyl)-N-phenylacetamide?
The canonical SMILES for N-(3-cyano-4,6-dimethyl-2-pyridinyl)-N-phenylacetamide is CC(=O)N(c1ccccc1)c1nc(C)cc(C)c1C#N.
What is the InChIKey of N-(3-cyano-4,6-dimethyl-2-pyridinyl)-N-phenylacetamide?
The InChIKey is PKCPABFZDJFEQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O/c1-11-9-12(2)18-16(15(11)10-17)19(13(3)20)14-7-5-4-6-8-14/h4-9H,1-3H3.
What are the key properties of N-(3-cyano-4,6-dimethyl-2-pyridinyl)-N-phenylacetamide?
N-(3-cyano-4,6-dimethyl-2-pyridinyl)-N-phenylacetamide has a molecular weight of 265.32 g/mol, XLogP of 3.25, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyano-4,6-dimethyl-2-pyridinyl)-N-phenylacetamide is sourced from PubChem (CID 740890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).