N-(4-cyanophenyl)-6-[4-(dimethylamino)anilino]pyridine-3-carboxamide

C21H19N5O — CID 109164675

IUPACN-(4-cyanophenyl)-6-[4-(dimethylamino)anilino]pyridine-3-carboxamide
SMILESCN(C)c1ccc(Nc2ccc(C(=O)Nc3ccc(C#N)cc3)cn2)cc1
InChIInChI=1S/C21H19N5O/c1-26(2)19-10-8-17(9-11-19)24-20-12-5-16(14-23-20)21(27)25-18-6-3-15(13-22)4-7-18/h3-12,14H,1-2H3,(H,23,24)(H,25,27)
InChIKeyGXNRQWFMJQPLMJ-UHFFFAOYSA-N
MW357.42 g/mol
LogP4.02
Rot. Bonds5

About N-(4-cyanophenyl)-6-[4-(dimethylamino)anilino]pyridine-3-carboxamide

N-(4-cyanophenyl)-6-[4-(dimethylamino)anilino]pyridine-3-carboxamide (PubChem CID 109164675) has the molecular formula C21H19N5O and a molecular weight of 357.42 g/mol. Its IUPAC name is N-(4-cyanophenyl)-6-[4-(dimethylamino)anilino]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(4-cyanophenyl)-6-[4-(dimethylamino)anilino]pyridine-3-carboxamide
PubChem CID109164675
Molecular FormulaC21H19N5O
Molecular Weight357.42 g/mol
Exact Mass357.16
IUPAC NameN-(4-cyanophenyl)-6-[4-(dimethylamino)anilino]pyridine-3-carboxamide
SMILESCN(C)c1ccc(Nc2ccc(C(=O)Nc3ccc(C#N)cc3)cn2)cc1
InChIInChI=1S/C21H19N5O/c1-26(2)19-10-8-17(9-11-19)24-20-12-5-16(14-23-20)21(27)25-18-6-3-15(13-22)4-7-18/h3-12,14H,1-2H3,(H,23,24)(H,25,27)
InChIKeyGXNRQWFMJQPLMJ-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

N-(4-acetamidophenyl)-6-(4-cyanoanilino)pyridine-3-carboxamide
CID 109164577
methyl 4-[[5-[(4-cyanophenyl)carbamoyl]-2-pyridinyl]amino]benzoate
CID 109164642
6-(4-bromoanilino)-N-(4-cyanophenyl)pyridine-3-carboxamide
CID 109163836
methyl 4-[[6-[4-(dimethylamino)anilino]pyridine-3-carbonyl]amino]benzoate
CID 109164647
6-[4-(dimethylamino)anilino]-N-(4-ethoxyphenyl)pyridine-3-carboxamide
CID 109164189
5-(4-cyanoanilino)-N-[4-(dimethylamino)phenyl]pyridine-2-carboxamide
CID 109200559
N-(4-cyanophenyl)-6-[4-(dimethylamino)anilino]pyrimidine-4-carboxamide
CID 109359568
6-(1,3-benzodioxol-5-ylamino)-N-(4-cyanophenyl)pyridine-3-carboxamide
CID 109164804
N-(3,4-dimethoxyphenyl)-6-[4-(dimethylamino)anilino]pyridine-3-carboxamide
CID 109164382
4-bromo-N-[6-(4-cyanoanilino)-3-pyridinyl]benzamide
CID 113022865
6-(4-cyanoanilino)-N-[3-(dimethylamino)propyl]pyridine-3-carboxamide
CID 109154528
6-(4-cyanoanilino)-N-[4-(dimethylamino)phenyl]-2-methylpyrimidine-4-carboxamide
CID 112850950

Frequently Asked Questions

What is the IUPAC name of N-(4-cyanophenyl)-6-[4-(dimethylamino)anilino]pyridine-3-carboxamide?
The IUPAC name of N-(4-cyanophenyl)-6-[4-(dimethylamino)anilino]pyridine-3-carboxamide (CID 109164675) is N-(4-cyanophenyl)-6-[4-(dimethylamino)anilino]pyridine-3-carboxamide.
What is the SMILES notation for N-(4-cyanophenyl)-6-[4-(dimethylamino)anilino]pyridine-3-carboxamide?
The canonical SMILES for N-(4-cyanophenyl)-6-[4-(dimethylamino)anilino]pyridine-3-carboxamide is CN(C)c1ccc(Nc2ccc(C(=O)Nc3ccc(C#N)cc3)cn2)cc1.
What is the InChIKey of N-(4-cyanophenyl)-6-[4-(dimethylamino)anilino]pyridine-3-carboxamide?
The InChIKey is GXNRQWFMJQPLMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N5O/c1-26(2)19-10-8-17(9-11-19)24-20-12-5-16(14-23-20)21(27)25-18-6-3-15(13-22)4-7-18/h3-12,14H,1-2H3,(H,23,24)(H,25,27).
What are the key properties of N-(4-cyanophenyl)-6-[4-(dimethylamino)anilino]pyridine-3-carboxamide?
N-(4-cyanophenyl)-6-[4-(dimethylamino)anilino]pyridine-3-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 N-(4-cyanophenyl)-6-[4-(dimethylamino)anilino]pyridine-3-carboxamide is sourced from PubChem (CID 109164675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).