5-(2,6-dimethylanilino)-N-(4-pyrrolidin-1-ylphenyl)pyridine-3-carboxamide

C24H26N4O — CID 109243207

IUPAC5-(2,6-dimethylanilino)-N-(4-pyrrolidin-1-ylphenyl)pyridine-3-carboxamide
SMILESCc1cccc(C)c1Nc1cncc(C(=O)Nc2ccc(N3CCCC3)cc2)c1
InChIInChI=1S/C24H26N4O/c1-17-6-5-7-18(2)23(17)26-21-14-19(15-25-16-21)24(29)27-20-8-10-22(11-9-20)28-12-3-4-13-28/h5-11,14-16,26H,3-4,12-13H2,1-2H3,(H,27,29)
InChIKeyBXGBZEQKPZTBQT-UHFFFAOYSA-N
MW386.50 g/mol
LogP5.29
Rot. Bonds5

About 5-(2,6-dimethylanilino)-N-(4-pyrrolidin-1-ylphenyl)pyridine-3-carboxamide

5-(2,6-dimethylanilino)-N-(4-pyrrolidin-1-ylphenyl)pyridine-3-carboxamide (PubChem CID 109243207) has the molecular formula C24H26N4O and a molecular weight of 386.50 g/mol. Its IUPAC name is 5-(2,6-dimethylanilino)-N-(4-pyrrolidin-1-ylphenyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-(2,6-dimethylanilino)-N-(4-pyrrolidin-1-ylphenyl)pyridine-3-carboxamide
PubChem CID109243207
Molecular FormulaC24H26N4O
Molecular Weight386.50 g/mol
Exact Mass386.21
IUPAC Name5-(2,6-dimethylanilino)-N-(4-pyrrolidin-1-ylphenyl)pyridine-3-carboxamide
SMILESCc1cccc(C)c1Nc1cncc(C(=O)Nc2ccc(N3CCCC3)cc2)c1
InChIInChI=1S/C24H26N4O/c1-17-6-5-7-18(2)23(17)26-21-14-19(15-25-16-21)24(29)27-20-8-10-22(11-9-20)28-12-3-4-13-28/h5-11,14-16,26H,3-4,12-13H2,1-2H3,(H,27,29)
InChIKeyBXGBZEQKPZTBQT-UHFFFAOYSA-N
XLogP5.29
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.50
LogP ≤ 55.29
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-(3-fluoroanilino)-N-(4-pyrrolidin-1-ylphenyl)pyridine-3-carboxamide
CID 109246036
N-(4-acetylphenyl)-5-(2,6-dimethylanilino)pyridine-3-carboxamide
CID 109243199
5-(3-methoxyanilino)-N-(4-pyrrolidin-1-ylphenyl)pyridine-3-carboxamide
CID 109245265
5-(2,6-dimethylanilino)-N-(4-methoxyphenyl)pyridine-3-carboxamide
CID 109243186
N-(3-chlorophenyl)-5-(4-pyrrolidin-1-ylanilino)pyridine-3-carboxamide
CID 109244496
5-(2,6-dimethylanilino)-N-(3,5-dimethylphenyl)pyridine-3-carboxamide
CID 109243006
5-piperidin-1-yl-N-(4-piperidin-1-ylphenyl)pyridine-3-carboxamide
CID 109226590
5-piperidin-1-yl-N-(4-pyrrolidin-1-ylphenyl)pyridine-3-carboxamide
CID 109226589
5-(2,6-dimethylanilino)-N-(4-propan-2-yloxyphenyl)pyridine-3-carboxamide
CID 109243191
5-(4-cyanoanilino)-N-(4-piperidin-1-ylphenyl)pyridine-3-carboxamide
CID 109246057
N-(3-cyanophenyl)-5-(4-piperidin-1-ylanilino)pyridine-3-carboxamide
CID 109246061
5-(2,6-dimethylanilino)-N-(4-ethoxyphenyl)pyridine-3-carboxamide
CID 109243188

Frequently Asked Questions

What is the IUPAC name of 5-(2,6-dimethylanilino)-N-(4-pyrrolidin-1-ylphenyl)pyridine-3-carboxamide?
The IUPAC name of 5-(2,6-dimethylanilino)-N-(4-pyrrolidin-1-ylphenyl)pyridine-3-carboxamide (CID 109243207) is 5-(2,6-dimethylanilino)-N-(4-pyrrolidin-1-ylphenyl)pyridine-3-carboxamide.
What is the SMILES notation for 5-(2,6-dimethylanilino)-N-(4-pyrrolidin-1-ylphenyl)pyridine-3-carboxamide?
The canonical SMILES for 5-(2,6-dimethylanilino)-N-(4-pyrrolidin-1-ylphenyl)pyridine-3-carboxamide is Cc1cccc(C)c1Nc1cncc(C(=O)Nc2ccc(N3CCCC3)cc2)c1.
What is the InChIKey of 5-(2,6-dimethylanilino)-N-(4-pyrrolidin-1-ylphenyl)pyridine-3-carboxamide?
The InChIKey is BXGBZEQKPZTBQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O/c1-17-6-5-7-18(2)23(17)26-21-14-19(15-25-16-21)24(29)27-20-8-10-22(11-9-20)28-12-3-4-13-28/h5-11,14-16,26H,3-4,12-13H2,1-2H3,(H,27,29).
What are the key properties of 5-(2,6-dimethylanilino)-N-(4-pyrrolidin-1-ylphenyl)pyridine-3-carboxamide?
5-(2,6-dimethylanilino)-N-(4-pyrrolidin-1-ylphenyl)pyridine-3-carboxamide has a molecular weight of 386.50 g/mol, XLogP of 5.29, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,6-dimethylanilino)-N-(4-pyrrolidin-1-ylphenyl)pyridine-3-carboxamide is sourced from PubChem (CID 109243207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).