N-[4-(dimethylamino)phenyl]-5-(2,5-dimethylanilino)pyridine-3-carboxamide

C22H24N4O — CID 109242872

IUPACN-[4-(dimethylamino)phenyl]-5-(2,5-dimethylanilino)pyridine-3-carboxamide
SMILESCc1ccc(C)c(Nc2cncc(C(=O)Nc3ccc(N(C)C)cc3)c2)c1
InChIInChI=1S/C22H24N4O/c1-15-5-6-16(2)21(11-15)24-19-12-17(13-23-14-19)22(27)25-18-7-9-20(10-8-18)26(3)4/h5-14,24H,1-4H3,(H,25,27)
InChIKeyYQKLJZULEYTYDG-UHFFFAOYSA-N
MW360.46 g/mol
LogP4.76
Rot. Bonds5

About N-[4-(dimethylamino)phenyl]-5-(2,5-dimethylanilino)pyridine-3-carboxamide

N-[4-(dimethylamino)phenyl]-5-(2,5-dimethylanilino)pyridine-3-carboxamide (PubChem CID 109242872) has the molecular formula C22H24N4O and a molecular weight of 360.46 g/mol. Its IUPAC name is N-[4-(dimethylamino)phenyl]-5-(2,5-dimethylanilino)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[4-(dimethylamino)phenyl]-5-(2,5-dimethylanilino)pyridine-3-carboxamide
PubChem CID109242872
Molecular FormulaC22H24N4O
Molecular Weight360.46 g/mol
Exact Mass360.20
IUPAC NameN-[4-(dimethylamino)phenyl]-5-(2,5-dimethylanilino)pyridine-3-carboxamide
SMILESCc1ccc(C)c(Nc2cncc(C(=O)Nc3ccc(N(C)C)cc3)c2)c1
InChIInChI=1S/C22H24N4O/c1-15-5-6-16(2)21(11-15)24-19-12-17(13-23-14-19)22(27)25-18-7-9-20(10-8-18)26(3)4/h5-14,24H,1-4H3,(H,25,27)
InChIKeyYQKLJZULEYTYDG-UHFFFAOYSA-N
XLogP4.76
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 54.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-(2,5-dimethylanilino)-N-(4-methylphenyl)pyridine-3-carboxamide
CID 109242013
N-(4-acetamidophenyl)-5-(2,5-dimethylanilino)pyridine-3-carboxamide
CID 109242868
5-[4-(diethylamino)anilino]-N-(2,5-dimethylphenyl)pyridine-3-carboxamide
CID 109242816
N-(4-cyanophenyl)-5-(2,5-dimethylanilino)pyridine-3-carboxamide
CID 109242887
5-(2,5-dimethylanilino)-N-(3-methylphenyl)pyridine-3-carboxamide
CID 109241831
5-(4-acetamidoanilino)-N-[4-(dimethylamino)phenyl]pyridine-3-carboxamide
CID 109245894
5-(4-acetamidoanilino)-N-(2,5-dimethylphenyl)pyridine-3-carboxamide
CID 109242811
5-(5-chloro-2-methylanilino)-N-(4-chlorophenyl)pyridine-3-carboxamide
CID 109244563
5-(4-chloroanilino)-N-[4-(dimethylamino)phenyl]pyridine-3-carboxamide
CID 109244637
5-(2,5-dimethylanilino)-N-(2-ethylphenyl)pyridine-3-carboxamide
CID 109242839
5-(4-tert-butylanilino)-N-[4-(dimethylamino)phenyl]pyridine-3-carboxamide
CID 109244078
N-[3-(dimethylamino)propyl]-5-(2,5-dimethylanilino)pyridine-3-carboxamide
CID 109229797

Frequently Asked Questions

What is the IUPAC name of N-[4-(dimethylamino)phenyl]-5-(2,5-dimethylanilino)pyridine-3-carboxamide?
The IUPAC name of N-[4-(dimethylamino)phenyl]-5-(2,5-dimethylanilino)pyridine-3-carboxamide (CID 109242872) is N-[4-(dimethylamino)phenyl]-5-(2,5-dimethylanilino)pyridine-3-carboxamide.
What is the SMILES notation for N-[4-(dimethylamino)phenyl]-5-(2,5-dimethylanilino)pyridine-3-carboxamide?
The canonical SMILES for N-[4-(dimethylamino)phenyl]-5-(2,5-dimethylanilino)pyridine-3-carboxamide is Cc1ccc(C)c(Nc2cncc(C(=O)Nc3ccc(N(C)C)cc3)c2)c1.
What is the InChIKey of N-[4-(dimethylamino)phenyl]-5-(2,5-dimethylanilino)pyridine-3-carboxamide?
The InChIKey is YQKLJZULEYTYDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O/c1-15-5-6-16(2)21(11-15)24-19-12-17(13-23-14-19)22(27)25-18-7-9-20(10-8-18)26(3)4/h5-14,24H,1-4H3,(H,25,27).
What are the key properties of N-[4-(dimethylamino)phenyl]-5-(2,5-dimethylanilino)pyridine-3-carboxamide?
N-[4-(dimethylamino)phenyl]-5-(2,5-dimethylanilino)pyridine-3-carboxamide has a molecular weight of 360.46 g/mol, XLogP of 4.76, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(dimethylamino)phenyl]-5-(2,5-dimethylanilino)pyridine-3-carboxamide is sourced from PubChem (CID 109242872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).