4-(3-cyanoanilino)-N-[4-(dimethylamino)phenyl]pyridine-2-carboxamide

C21H19N5O — CID 109222335

IUPAC4-(3-cyanoanilino)-N-[4-(dimethylamino)phenyl]pyridine-2-carboxamide
SMILESCN(C)c1ccc(NC(=O)c2cc(Nc3cccc(C#N)c3)ccn2)cc1
InChIInChI=1S/C21H19N5O/c1-26(2)19-8-6-16(7-9-19)25-21(27)20-13-18(10-11-23-20)24-17-5-3-4-15(12-17)14-22/h3-13H,1-2H3,(H,23,24)(H,25,27)
InChIKeySTBCCGRIPATAOA-UHFFFAOYSA-N
MW357.42 g/mol
LogP4.02
Rot. Bonds5

About 4-(3-cyanoanilino)-N-[4-(dimethylamino)phenyl]pyridine-2-carboxamide

4-(3-cyanoanilino)-N-[4-(dimethylamino)phenyl]pyridine-2-carboxamide (PubChem CID 109222335) has the molecular formula C21H19N5O and a molecular weight of 357.42 g/mol. Its IUPAC name is 4-(3-cyanoanilino)-N-[4-(dimethylamino)phenyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name4-(3-cyanoanilino)-N-[4-(dimethylamino)phenyl]pyridine-2-carboxamide
PubChem CID109222335
Molecular FormulaC21H19N5O
Molecular Weight357.42 g/mol
Exact Mass357.16
IUPAC Name4-(3-cyanoanilino)-N-[4-(dimethylamino)phenyl]pyridine-2-carboxamide
SMILESCN(C)c1ccc(NC(=O)c2cc(Nc3cccc(C#N)c3)ccn2)cc1
InChIInChI=1S/C21H19N5O/c1-26(2)19-8-6-16(7-9-19)25-21(27)20-13-18(10-11-23-20)24-17-5-3-4-15(12-17)14-22/h3-13H,1-2H3,(H,23,24)(H,25,27)
InChIKeySTBCCGRIPATAOA-UHFFFAOYSA-N
XLogP4.02
TPSA81.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.42
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

4-N-(3-cyanophenyl)-2-N-[4-(dimethylamino)phenyl]pyridine-2,4-dicarboxamide
CID 109093258
4-(3-cyanoanilino)-N-phenylpyridine-2-carboxamide
CID 109218825
4-(4-cyanoanilino)-N-(3-cyanophenyl)pyridine-2-carboxamide
CID 109222713
methyl 4-[[2-[(3-cyanophenyl)carbamoyl]-4-pyridinyl]amino]benzoate
CID 109222315
4-anilino-N-(4-cyanophenyl)pyridine-2-carboxamide
CID 109218921
N-[4-(dimethylamino)phenyl]-4-(3,5-dimethylanilino)pyridine-2-carboxamide
CID 109219981
4-(3-chloro-4-methoxyanilino)-N-(3-cyanophenyl)pyridine-2-carboxamide
CID 109221390
4-(4-cyanoanilino)-N-[4-(diethylamino)phenyl]pyridine-2-carboxamide
CID 109222360
4-(3-cyanoanilino)-N-(2-cyanophenyl)pyridine-2-carboxamide
CID 109222698
4-[4-(dimethylamino)anilino]-N-(2,6-dimethylphenyl)pyridine-2-carboxamide
CID 109220014
1-(3-cyanophenyl)-3-[4-(dimethylamino)phenyl]urea
CID 54344959
4-N-(4-acetamidophenyl)-2-N-(3-cyanophenyl)pyridine-2,4-dicarboxamide
CID 109093227

Frequently Asked Questions

What is the IUPAC name of 4-(3-cyanoanilino)-N-[4-(dimethylamino)phenyl]pyridine-2-carboxamide?
The IUPAC name of 4-(3-cyanoanilino)-N-[4-(dimethylamino)phenyl]pyridine-2-carboxamide (CID 109222335) is 4-(3-cyanoanilino)-N-[4-(dimethylamino)phenyl]pyridine-2-carboxamide.
What is the SMILES notation for 4-(3-cyanoanilino)-N-[4-(dimethylamino)phenyl]pyridine-2-carboxamide?
The canonical SMILES for 4-(3-cyanoanilino)-N-[4-(dimethylamino)phenyl]pyridine-2-carboxamide is CN(C)c1ccc(NC(=O)c2cc(Nc3cccc(C#N)c3)ccn2)cc1.
What is the InChIKey of 4-(3-cyanoanilino)-N-[4-(dimethylamino)phenyl]pyridine-2-carboxamide?
The InChIKey is STBCCGRIPATAOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N5O/c1-26(2)19-8-6-16(7-9-19)25-21(27)20-13-18(10-11-23-20)24-17-5-3-4-15(12-17)14-22/h3-13H,1-2H3,(H,23,24)(H,25,27).
What are the key properties of 4-(3-cyanoanilino)-N-[4-(dimethylamino)phenyl]pyridine-2-carboxamide?
4-(3-cyanoanilino)-N-[4-(dimethylamino)phenyl]pyridine-2-carboxamide has a molecular weight of 357.42 g/mol, XLogP of 4.02, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-cyanoanilino)-N-[4-(dimethylamino)phenyl]pyridine-2-carboxamide is sourced from PubChem (CID 109222335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).