2-cyano-N-[6-(3,4-dichlorophenyl)-2-pyridinyl]acetamide

C14H9Cl2N3O — CID 155548991

IUPAC2-cyano-N-[6-(3,4-dichlorophenyl)-2-pyridinyl]acetamide
SMILESN#CCC(=O)Nc1cccc(-c2ccc(Cl)c(Cl)c2)n1
InChIInChI=1S/C14H9Cl2N3O/c15-10-5-4-9(8-11(10)16)12-2-1-3-13(18-12)19-14(20)6-7-17/h1-5,8H,6H2,(H,18,19,20)
InChIKeyFWBFSRMVDRCHSZ-UHFFFAOYSA-N
MW306.15 g/mol
LogP3.91
Rot. Bonds3

About 2-cyano-N-[6-(3,4-dichlorophenyl)-2-pyridinyl]acetamide

2-cyano-N-[6-(3,4-dichlorophenyl)-2-pyridinyl]acetamide (PubChem CID 155548991) has the molecular formula C14H9Cl2N3O and a molecular weight of 306.15 g/mol. Its IUPAC name is 2-cyano-N-[6-(3,4-dichlorophenyl)-2-pyridinyl]acetamide.

Molecular Properties

Compound Name2-cyano-N-[6-(3,4-dichlorophenyl)-2-pyridinyl]acetamide
PubChem CID155548991
Molecular FormulaC14H9Cl2N3O
Molecular Weight306.15 g/mol
Exact Mass305.01
IUPAC Name2-cyano-N-[6-(3,4-dichlorophenyl)-2-pyridinyl]acetamide
SMILESN#CCC(=O)Nc1cccc(-c2ccc(Cl)c(Cl)c2)n1
InChIInChI=1S/C14H9Cl2N3O/c15-10-5-4-9(8-11(10)16)12-2-1-3-13(18-12)19-14(20)6-7-17/h1-5,8H,6H2,(H,18,19,20)
InChIKeyFWBFSRMVDRCHSZ-UHFFFAOYSA-N
XLogP3.91
TPSA65.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.15
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-[6-(3,4-dichlorophenyl)-2-pyridinyl]acetamide?
The IUPAC name of 2-cyano-N-[6-(3,4-dichlorophenyl)-2-pyridinyl]acetamide (CID 155548991) is 2-cyano-N-[6-(3,4-dichlorophenyl)-2-pyridinyl]acetamide.
What is the SMILES notation for 2-cyano-N-[6-(3,4-dichlorophenyl)-2-pyridinyl]acetamide?
The canonical SMILES for 2-cyano-N-[6-(3,4-dichlorophenyl)-2-pyridinyl]acetamide is N#CCC(=O)Nc1cccc(-c2ccc(Cl)c(Cl)c2)n1.
What is the InChIKey of 2-cyano-N-[6-(3,4-dichlorophenyl)-2-pyridinyl]acetamide?
The InChIKey is FWBFSRMVDRCHSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9Cl2N3O/c15-10-5-4-9(8-11(10)16)12-2-1-3-13(18-12)19-14(20)6-7-17/h1-5,8H,6H2,(H,18,19,20).
What are the key properties of 2-cyano-N-[6-(3,4-dichlorophenyl)-2-pyridinyl]acetamide?
2-cyano-N-[6-(3,4-dichlorophenyl)-2-pyridinyl]acetamide has a molecular weight of 306.15 g/mol, XLogP of 3.91, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-[6-(3,4-dichlorophenyl)-2-pyridinyl]acetamide is sourced from PubChem (CID 155548991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).