2-anilino-6-pyrrol-1-ylpyridine-3,5-dicarbonitrile

C17H11N5 — CID 139236372

IUPAC2-anilino-6-pyrrol-1-ylpyridine-3,5-dicarbonitrile
SMILESN#Cc1cc(C#N)c(-n2cccc2)nc1Nc1ccccc1
InChIInChI=1S/C17H11N5/c18-11-13-10-14(12-19)17(22-8-4-5-9-22)21-16(13)20-15-6-2-1-3-7-15/h1-10H,(H,20,21)
InChIKeyDJGORLZHQKIKHS-UHFFFAOYSA-N
MW285.31 g/mol
LogP3.36
Rot. Bonds3

About 2-anilino-6-pyrrol-1-ylpyridine-3,5-dicarbonitrile

2-anilino-6-pyrrol-1-ylpyridine-3,5-dicarbonitrile (PubChem CID 139236372) has the molecular formula C17H11N5 and a molecular weight of 285.31 g/mol. Its IUPAC name is 2-anilino-6-pyrrol-1-ylpyridine-3,5-dicarbonitrile.

Molecular Properties

Compound Name2-anilino-6-pyrrol-1-ylpyridine-3,5-dicarbonitrile
PubChem CID139236372
Molecular FormulaC17H11N5
Molecular Weight285.31 g/mol
Exact Mass285.10
IUPAC Name2-anilino-6-pyrrol-1-ylpyridine-3,5-dicarbonitrile
SMILESN#Cc1cc(C#N)c(-n2cccc2)nc1Nc1ccccc1
InChIInChI=1S/C17H11N5/c18-11-13-10-14(12-19)17(22-8-4-5-9-22)21-16(13)20-15-6-2-1-3-7-15/h1-10H,(H,20,21)
InChIKeyDJGORLZHQKIKHS-UHFFFAOYSA-N
XLogP3.36
TPSA77.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.31
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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5-anilino-2-fluorobenzonitrile
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4-[(3-cyano-5-phenyl-2-pyridinyl)amino]benzoic acid
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2-(4-chloroanilino)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
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5-phenyl-2-pyrrol-1-ylfuran-3-carbonitrile
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Frequently Asked Questions

What is the IUPAC name of 2-anilino-6-pyrrol-1-ylpyridine-3,5-dicarbonitrile?
The IUPAC name of 2-anilino-6-pyrrol-1-ylpyridine-3,5-dicarbonitrile (CID 139236372) is 2-anilino-6-pyrrol-1-ylpyridine-3,5-dicarbonitrile.
What is the SMILES notation for 2-anilino-6-pyrrol-1-ylpyridine-3,5-dicarbonitrile?
The canonical SMILES for 2-anilino-6-pyrrol-1-ylpyridine-3,5-dicarbonitrile is N#Cc1cc(C#N)c(-n2cccc2)nc1Nc1ccccc1.
What is the InChIKey of 2-anilino-6-pyrrol-1-ylpyridine-3,5-dicarbonitrile?
The InChIKey is DJGORLZHQKIKHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11N5/c18-11-13-10-14(12-19)17(22-8-4-5-9-22)21-16(13)20-15-6-2-1-3-7-15/h1-10H,(H,20,21).
What are the key properties of 2-anilino-6-pyrrol-1-ylpyridine-3,5-dicarbonitrile?
2-anilino-6-pyrrol-1-ylpyridine-3,5-dicarbonitrile has a molecular weight of 285.31 g/mol, XLogP of 3.36, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-anilino-6-pyrrol-1-ylpyridine-3,5-dicarbonitrile is sourced from PubChem (CID 139236372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).