N-[4-amino-6-(3-chlorophenyl)-5-cyano-2-pyridinyl]acetamide

C14H11ClN4O — CID 66920766

IUPACN-[4-amino-6-(3-chlorophenyl)-5-cyano-2-pyridinyl]acetamide
SMILESCC(=O)Nc1cc(N)c(C#N)c(-c2cccc(Cl)c2)n1
InChIInChI=1S/C14H11ClN4O/c1-8(20)18-13-6-12(17)11(7-16)14(19-13)9-3-2-4-10(15)5-9/h2-6H,1H3,(H3,17,18,19,20)
InChIKeyJFBXYBBNIYULRV-UHFFFAOYSA-N
MW286.72 g/mol
LogP2.81
Rot. Bonds2

About N-[4-amino-6-(3-chlorophenyl)-5-cyano-2-pyridinyl]acetamide

N-[4-amino-6-(3-chlorophenyl)-5-cyano-2-pyridinyl]acetamide (PubChem CID 66920766) has the molecular formula C14H11ClN4O and a molecular weight of 286.72 g/mol. Its IUPAC name is N-[4-amino-6-(3-chlorophenyl)-5-cyano-2-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[4-amino-6-(3-chlorophenyl)-5-cyano-2-pyridinyl]acetamide
PubChem CID66920766
Molecular FormulaC14H11ClN4O
Molecular Weight286.72 g/mol
Exact Mass286.06
IUPAC NameN-[4-amino-6-(3-chlorophenyl)-5-cyano-2-pyridinyl]acetamide
SMILESCC(=O)Nc1cc(N)c(C#N)c(-c2cccc(Cl)c2)n1
InChIInChI=1S/C14H11ClN4O/c1-8(20)18-13-6-12(17)11(7-16)14(19-13)9-3-2-4-10(15)5-9/h2-6H,1H3,(H3,17,18,19,20)
InChIKeyJFBXYBBNIYULRV-UHFFFAOYSA-N
XLogP2.81
TPSA91.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.72
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-amino-6-(3-chlorophenyl)-5-cyano-2-pyridinyl]acetamide?
The IUPAC name of N-[4-amino-6-(3-chlorophenyl)-5-cyano-2-pyridinyl]acetamide (CID 66920766) is N-[4-amino-6-(3-chlorophenyl)-5-cyano-2-pyridinyl]acetamide.
What is the SMILES notation for N-[4-amino-6-(3-chlorophenyl)-5-cyano-2-pyridinyl]acetamide?
The canonical SMILES for N-[4-amino-6-(3-chlorophenyl)-5-cyano-2-pyridinyl]acetamide is CC(=O)Nc1cc(N)c(C#N)c(-c2cccc(Cl)c2)n1.
What is the InChIKey of N-[4-amino-6-(3-chlorophenyl)-5-cyano-2-pyridinyl]acetamide?
The InChIKey is JFBXYBBNIYULRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN4O/c1-8(20)18-13-6-12(17)11(7-16)14(19-13)9-3-2-4-10(15)5-9/h2-6H,1H3,(H3,17,18,19,20).
What are the key properties of N-[4-amino-6-(3-chlorophenyl)-5-cyano-2-pyridinyl]acetamide?
N-[4-amino-6-(3-chlorophenyl)-5-cyano-2-pyridinyl]acetamide has a molecular weight of 286.72 g/mol, XLogP of 2.81, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-amino-6-(3-chlorophenyl)-5-cyano-2-pyridinyl]acetamide is sourced from PubChem (CID 66920766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).