2-amino-4-(3-chlorophenyl)-6-pyridin-4-ylpyridine-3-carbonitrile

C17H11ClN4 — CID 4636492

IUPAC2-amino-4-(3-chlorophenyl)-6-pyridin-4-ylpyridine-3-carbonitrile
SMILESN#Cc1c(-c2cccc(Cl)c2)cc(-c2ccncc2)nc1N
InChIInChI=1S/C17H11ClN4/c18-13-3-1-2-12(8-13)14-9-16(11-4-6-21-7-5-11)22-17(20)15(14)10-19/h1-9H,(H2,20,22)
InChIKeyRHMIVQQBHJYREX-UHFFFAOYSA-N
MW306.76 g/mol
LogP3.92
Rot. Bonds2

About 2-amino-4-(3-chlorophenyl)-6-pyridin-4-ylpyridine-3-carbonitrile

2-amino-4-(3-chlorophenyl)-6-pyridin-4-ylpyridine-3-carbonitrile (PubChem CID 4636492) has the molecular formula C17H11ClN4 and a molecular weight of 306.76 g/mol. Its IUPAC name is 2-amino-4-(3-chlorophenyl)-6-pyridin-4-ylpyridine-3-carbonitrile.

Molecular Properties

Compound Name2-amino-4-(3-chlorophenyl)-6-pyridin-4-ylpyridine-3-carbonitrile
PubChem CID4636492
Molecular FormulaC17H11ClN4
Molecular Weight306.76 g/mol
Exact Mass306.07
IUPAC Name2-amino-4-(3-chlorophenyl)-6-pyridin-4-ylpyridine-3-carbonitrile
SMILESN#Cc1c(-c2cccc(Cl)c2)cc(-c2ccncc2)nc1N
InChIInChI=1S/C17H11ClN4/c18-13-3-1-2-12(8-13)14-9-16(11-4-6-21-7-5-11)22-17(20)15(14)10-19/h1-9H,(H2,20,22)
InChIKeyRHMIVQQBHJYREX-UHFFFAOYSA-N
XLogP3.92
TPSA75.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.76
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(3-chlorophenyl)-6-pyridin-4-ylpyridine-3-carbonitrile?
The IUPAC name of 2-amino-4-(3-chlorophenyl)-6-pyridin-4-ylpyridine-3-carbonitrile (CID 4636492) is 2-amino-4-(3-chlorophenyl)-6-pyridin-4-ylpyridine-3-carbonitrile.
What is the SMILES notation for 2-amino-4-(3-chlorophenyl)-6-pyridin-4-ylpyridine-3-carbonitrile?
The canonical SMILES for 2-amino-4-(3-chlorophenyl)-6-pyridin-4-ylpyridine-3-carbonitrile is N#Cc1c(-c2cccc(Cl)c2)cc(-c2ccncc2)nc1N.
What is the InChIKey of 2-amino-4-(3-chlorophenyl)-6-pyridin-4-ylpyridine-3-carbonitrile?
The InChIKey is RHMIVQQBHJYREX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11ClN4/c18-13-3-1-2-12(8-13)14-9-16(11-4-6-21-7-5-11)22-17(20)15(14)10-19/h1-9H,(H2,20,22).
What are the key properties of 2-amino-4-(3-chlorophenyl)-6-pyridin-4-ylpyridine-3-carbonitrile?
2-amino-4-(3-chlorophenyl)-6-pyridin-4-ylpyridine-3-carbonitrile has a molecular weight of 306.76 g/mol, XLogP of 3.92, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(3-chlorophenyl)-6-pyridin-4-ylpyridine-3-carbonitrile is sourced from PubChem (CID 4636492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).