2-N,5-N-bis[4-(dimethylamino)phenyl]pyridine-2,5-dicarboxamide

C23H25N5O2 — CID 4165025

IUPAC2-N,5-N-bis[4-(dimethylamino)phenyl]pyridine-2,5-dicarboxamide
SMILESCN(C)c1ccc(NC(=O)c2ccc(C(=O)Nc3ccc(N(C)C)cc3)nc2)cc1
InChIInChI=1S/C23H25N5O2/c1-27(2)19-10-6-17(7-11-19)25-22(29)16-5-14-21(24-15-16)23(30)26-18-8-12-20(13-9-18)28(3)4/h5-15H,1-4H3,(H,25,29)(H,26,30)
InChIKeyNLRUCMATWOPPDY-UHFFFAOYSA-N
MW403.49 g/mol
LogP3.72
Rot. Bonds6

About 2-N,5-N-bis[4-(dimethylamino)phenyl]pyridine-2,5-dicarboxamide

2-N,5-N-bis[4-(dimethylamino)phenyl]pyridine-2,5-dicarboxamide (PubChem CID 4165025) has the molecular formula C23H25N5O2 and a molecular weight of 403.49 g/mol. Its IUPAC name is 2-N,5-N-bis[4-(dimethylamino)phenyl]pyridine-2,5-dicarboxamide.

Molecular Properties

Compound Name2-N,5-N-bis[4-(dimethylamino)phenyl]pyridine-2,5-dicarboxamide
PubChem CID4165025
Molecular FormulaC23H25N5O2
Molecular Weight403.49 g/mol
Exact Mass403.20
IUPAC Name2-N,5-N-bis[4-(dimethylamino)phenyl]pyridine-2,5-dicarboxamide
SMILESCN(C)c1ccc(NC(=O)c2ccc(C(=O)Nc3ccc(N(C)C)cc3)nc2)cc1
InChIInChI=1S/C23H25N5O2/c1-27(2)19-10-6-17(7-11-19)25-22(29)16-5-14-21(24-15-16)23(30)26-18-8-12-20(13-9-18)28(3)4/h5-15H,1-4H3,(H,25,29)(H,26,30)
InChIKeyNLRUCMATWOPPDY-UHFFFAOYSA-N
XLogP3.72
TPSA77.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.49
LogP ≤ 53.72
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-(dimethylamino)phenyl]-6-propan-2-yloxypyridine-3-carboxamide
CID 86985414
4-[[4-(dimethylamino)phenyl]carbamoyl]benzoyl chloride
CID 122527773
N-(4-acetamidophenyl)-4-(dimethylamino)benzamide
CID 669679
N-[4-(dimethylamino)phenyl]-5-(2-methoxyethylamino)pyridine-2-carboxamide
CID 109184150
6-(cycloheptylamino)-N-[4-(dimethylamino)phenyl]pyridine-3-carboxamide
CID 109161046
methyl 4-[[6-[4-(dimethylamino)anilino]pyridine-3-carbonyl]amino]benzoate
CID 109164647
2-(tert-butylamino)-N-[4-(dimethylamino)phenyl]pyrimidine-5-carboxamide
CID 109263032
5-(benzylamino)-N-[4-(dimethylamino)phenyl]pyridine-2-carboxamide
CID 109188090
2-N,5-N-bis(4-ethoxyphenyl)pyridine-2,5-dicarboxamide
CID 3252781
4-(dimethylamino)-N-(4-iodophenyl)benzamide
CID 590767
methyl 4-[[5-(N-methylanilino)pyridine-2-carbonyl]amino]benzoate
CID 109197694
N-[4-(dimethylamino)phenyl]-5-[(4-fluorophenyl)methylamino]pyridine-2-carboxamide
CID 109189803

Frequently Asked Questions

What is the IUPAC name of 2-N,5-N-bis[4-(dimethylamino)phenyl]pyridine-2,5-dicarboxamide?
The IUPAC name of 2-N,5-N-bis[4-(dimethylamino)phenyl]pyridine-2,5-dicarboxamide (CID 4165025) is 2-N,5-N-bis[4-(dimethylamino)phenyl]pyridine-2,5-dicarboxamide.
What is the SMILES notation for 2-N,5-N-bis[4-(dimethylamino)phenyl]pyridine-2,5-dicarboxamide?
The canonical SMILES for 2-N,5-N-bis[4-(dimethylamino)phenyl]pyridine-2,5-dicarboxamide is CN(C)c1ccc(NC(=O)c2ccc(C(=O)Nc3ccc(N(C)C)cc3)nc2)cc1.
What is the InChIKey of 2-N,5-N-bis[4-(dimethylamino)phenyl]pyridine-2,5-dicarboxamide?
The InChIKey is NLRUCMATWOPPDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5O2/c1-27(2)19-10-6-17(7-11-19)25-22(29)16-5-14-21(24-15-16)23(30)26-18-8-12-20(13-9-18)28(3)4/h5-15H,1-4H3,(H,25,29)(H,26,30).
What are the key properties of 2-N,5-N-bis[4-(dimethylamino)phenyl]pyridine-2,5-dicarboxamide?
2-N,5-N-bis[4-(dimethylamino)phenyl]pyridine-2,5-dicarboxamide has a molecular weight of 403.49 g/mol, XLogP of 3.72, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,5-N-bis[4-(dimethylamino)phenyl]pyridine-2,5-dicarboxamide is sourced from PubChem (CID 4165025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).