5-(3-cyanoanilino)-N-quinolin-8-ylpyridine-2-carboxamide

C22H15N5O — CID 109200767

IUPAC5-(3-cyanoanilino)-N-quinolin-8-ylpyridine-2-carboxamide
SMILESN#Cc1cccc(Nc2ccc(C(=O)Nc3cccc4cccnc34)nc2)c1
InChIInChI=1S/C22H15N5O/c23-13-15-4-1-7-17(12-15)26-18-9-10-20(25-14-18)22(28)27-19-8-2-5-16-6-3-11-24-21(16)19/h1-12,14,26H,(H,27,28)
InChIKeyLYMHLOSAZGKCFU-UHFFFAOYSA-N
MW365.40 g/mol
LogP4.50
Rot. Bonds4

About 5-(3-cyanoanilino)-N-quinolin-8-ylpyridine-2-carboxamide

5-(3-cyanoanilino)-N-quinolin-8-ylpyridine-2-carboxamide (PubChem CID 109200767) has the molecular formula C22H15N5O and a molecular weight of 365.40 g/mol. Its IUPAC name is 5-(3-cyanoanilino)-N-quinolin-8-ylpyridine-2-carboxamide.

Molecular Properties

Compound Name5-(3-cyanoanilino)-N-quinolin-8-ylpyridine-2-carboxamide
PubChem CID109200767
Molecular FormulaC22H15N5O
Molecular Weight365.40 g/mol
Exact Mass365.13
IUPAC Name5-(3-cyanoanilino)-N-quinolin-8-ylpyridine-2-carboxamide
SMILESN#Cc1cccc(Nc2ccc(C(=O)Nc3cccc4cccnc34)nc2)c1
InChIInChI=1S/C22H15N5O/c23-13-15-4-1-7-17(12-15)26-18-9-10-20(25-14-18)22(28)27-19-8-2-5-16-6-3-11-24-21(16)19/h1-12,14,26H,(H,27,28)
InChIKeyLYMHLOSAZGKCFU-UHFFFAOYSA-N
XLogP4.50
TPSA90.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.40
LogP ≤ 54.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-(1,3-benzodioxol-5-ylamino)-N-quinolin-8-ylpyridine-2-carboxamide
CID 109200730
5-(methylamino)-N-quinolin-8-ylpyridine-2-carboxamide
CID 104639694
5-(3-cyanoanilino)-N-(2,6-dimethylphenyl)pyridine-2-carboxamide
CID 109198246
5-(3-cyanoanilino)-N-(3-methylphenyl)pyridine-2-carboxamide
CID 109197351
N-(3-cyanophenyl)-5-(quinolin-8-ylamino)pyridine-3-carboxamide
CID 109246222
5-(2-methoxyanilino)-N-quinolin-8-ylpyridine-2-carboxamide
CID 109199751
2-(4-cyanoanilino)-6-methyl-N-quinolin-8-ylpyrimidine-4-carboxamide
CID 109338079
1-N-(3-cyanophenyl)-1-N'-quinolin-8-ylcyclopropane-1,1-dicarboxamide
CID 108983729
N-(3-cyanophenyl)-2-(quinolin-8-ylamino)acetamide
CID 109010987
5-(cyclopropylamino)-N-quinolin-8-ylpyridine-2-carboxamide
CID 109180200
N-(2,6-difluorophenyl)-5-(quinolin-8-ylamino)pyridine-2-carboxamide
CID 109200781
N-(2,6-dimethylphenyl)-5-(quinolin-8-ylamino)pyridine-2-carboxamide
CID 109198241

Frequently Asked Questions

What is the IUPAC name of 5-(3-cyanoanilino)-N-quinolin-8-ylpyridine-2-carboxamide?
The IUPAC name of 5-(3-cyanoanilino)-N-quinolin-8-ylpyridine-2-carboxamide (CID 109200767) is 5-(3-cyanoanilino)-N-quinolin-8-ylpyridine-2-carboxamide.
What is the SMILES notation for 5-(3-cyanoanilino)-N-quinolin-8-ylpyridine-2-carboxamide?
The canonical SMILES for 5-(3-cyanoanilino)-N-quinolin-8-ylpyridine-2-carboxamide is N#Cc1cccc(Nc2ccc(C(=O)Nc3cccc4cccnc34)nc2)c1.
What is the InChIKey of 5-(3-cyanoanilino)-N-quinolin-8-ylpyridine-2-carboxamide?
The InChIKey is LYMHLOSAZGKCFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15N5O/c23-13-15-4-1-7-17(12-15)26-18-9-10-20(25-14-18)22(28)27-19-8-2-5-16-6-3-11-24-21(16)19/h1-12,14,26H,(H,27,28).
What are the key properties of 5-(3-cyanoanilino)-N-quinolin-8-ylpyridine-2-carboxamide?
5-(3-cyanoanilino)-N-quinolin-8-ylpyridine-2-carboxamide has a molecular weight of 365.40 g/mol, XLogP of 4.50, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-cyanoanilino)-N-quinolin-8-ylpyridine-2-carboxamide is sourced from PubChem (CID 109200767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).