6-(3-aminophenyl)-N-(4-piperazin-1-yl-3-pyridinyl)pyridine-2-carboxamide;6-(4-aminophenyl)-N-(4-piperazin-1-yl-3-pyridinyl)pyridine-2-carboxamide

C42H44N12O2 — CID 143750721

IUPAC6-(3-aminophenyl)-N-(4-piperazin-1-yl-3-pyridinyl)pyridine-2-carboxamide;6-(4-aminophenyl)-N-(4-piperazin-1-yl-3-pyridinyl)pyridine-2-carboxamide
SMILESNc1ccc(-c2cccc(C(=O)Nc3cnccc3N3CCNCC3)n2)cc1.Nc1cccc(-c2cccc(C(=O)Nc3cnccc3N3CCNCC3)n2)c1
InChIInChI=1S/2C21H22N6O/c22-16-4-1-3-15(13-16)17-5-2-6-18(25-17)21(28)26-19-14-24-8-7-20(19)27-11-9-23-10-12-27;22-16-6-4-15(5-7-16)17-2-1-3-18(25-17)21(28)26-19-14-24-9-8-20(19)27-12-10-23-11-13-27/h1-8,13-14,23H,9-12,22H2,(H,26,28);1-9,14,23H,10-13,22H2,(H,26,28)
InChIKeyFQWKFTILUCDITI-UHFFFAOYSA-N
MW748.90 g/mol
LogP4.78
Rot. Bonds8

About 6-(3-aminophenyl)-N-(4-piperazin-1-yl-3-pyridinyl)pyridine-2-carboxamide;6-(4-aminophenyl)-N-(4-piperazin-1-yl-3-pyridinyl)pyridine-2-carboxamide

6-(3-aminophenyl)-N-(4-piperazin-1-yl-3-pyridinyl)pyridine-2-carboxamide;6-(4-aminophenyl)-N-(4-piperazin-1-yl-3-pyridinyl)pyridine-2-carboxamide (PubChem CID 143750721) has the molecular formula C42H44N12O2 and a molecular weight of 748.90 g/mol. Its IUPAC name is 6-(3-aminophenyl)-N-(4-piperazin-1-yl-3-pyridinyl)pyridine-2-carboxamide;6-(4-aminophenyl)-N-(4-piperazin-1-yl-3-pyridinyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name6-(3-aminophenyl)-N-(4-piperazin-1-yl-3-pyridinyl)pyridine-2-carboxamide;6-(4-aminophenyl)-N-(4-piperazin-1-yl-3-pyridinyl)pyridine-2-carboxamide
PubChem CID143750721
Molecular FormulaC42H44N12O2
Molecular Weight748.90 g/mol
Exact Mass748.37
IUPAC Name6-(3-aminophenyl)-N-(4-piperazin-1-yl-3-pyridinyl)pyridine-2-carboxamide;6-(4-aminophenyl)-N-(4-piperazin-1-yl-3-pyridinyl)pyridine-2-carboxamide
SMILESNc1ccc(-c2cccc(C(=O)Nc3cnccc3N3CCNCC3)n2)cc1.Nc1cccc(-c2cccc(C(=O)Nc3cnccc3N3CCNCC3)n2)c1
InChIInChI=1S/2C21H22N6O/c22-16-4-1-3-15(13-16)17-5-2-6-18(25-17)21(28)26-19-14-24-8-7-20(19)27-11-9-23-10-12-27;22-16-6-4-15(5-7-16)17-2-1-3-18(25-17)21(28)26-19-14-24-9-8-20(19)27-12-10-23-11-13-27/h1-8,13-14,23H,9-12,22H2,(H,26,28);1-9,14,23H,10-13,22H2,(H,26,28)
InChIKeyFQWKFTILUCDITI-UHFFFAOYSA-N
XLogP4.78
TPSA192.34 Ų
H-Bond Donors6
H-Bond Acceptors12
Rotatable Bonds8
Heavy Atoms56
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500748.90
LogP ≤ 54.78
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 6-(3-aminophenyl)-N-(4-piperazin-1-yl-3-pyridinyl)pyridine-2-carboxamide;6-(4-aminophenyl)-N-(4-piperazin-1-yl-3-pyridinyl)pyridine-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-(3-aminophenyl)-N-(4-piperazin-1-yl-3-pyridinyl)pyridine-2-carboxamide;6-(4-aminophenyl)-N-(4-piperazin-1-yl-3-pyridinyl)pyridine-2-carboxamide?
The IUPAC name of 6-(3-aminophenyl)-N-(4-piperazin-1-yl-3-pyridinyl)pyridine-2-carboxamide;6-(4-aminophenyl)-N-(4-piperazin-1-yl-3-pyridinyl)pyridine-2-carboxamide (CID 143750721) is 6-(3-aminophenyl)-N-(4-piperazin-1-yl-3-pyridinyl)pyridine-2-carboxamide;6-(4-aminophenyl)-N-(4-piperazin-1-yl-3-pyridinyl)pyridine-2-carboxamide.
What is the SMILES notation for 6-(3-aminophenyl)-N-(4-piperazin-1-yl-3-pyridinyl)pyridine-2-carboxamide;6-(4-aminophenyl)-N-(4-piperazin-1-yl-3-pyridinyl)pyridine-2-carboxamide?
The canonical SMILES for 6-(3-aminophenyl)-N-(4-piperazin-1-yl-3-pyridinyl)pyridine-2-carboxamide;6-(4-aminophenyl)-N-(4-piperazin-1-yl-3-pyridinyl)pyridine-2-carboxamide is Nc1ccc(-c2cccc(C(=O)Nc3cnccc3N3CCNCC3)n2)cc1.Nc1cccc(-c2cccc(C(=O)Nc3cnccc3N3CCNCC3)n2)c1.
What is the InChIKey of 6-(3-aminophenyl)-N-(4-piperazin-1-yl-3-pyridinyl)pyridine-2-carboxamide;6-(4-aminophenyl)-N-(4-piperazin-1-yl-3-pyridinyl)pyridine-2-carboxamide?
The InChIKey is FQWKFTILUCDITI-UHFFFAOYSA-N. The full InChI is InChI=1S/2C21H22N6O/c22-16-4-1-3-15(13-16)17-5-2-6-18(25-17)21(28)26-19-14-24-8-7-20(19)27-11-9-23-10-12-27;22-16-6-4-15(5-7-16)17-2-1-3-18(25-17)21(28)26-19-14-24-9-8-20(19)27-12-10-23-11-13-27/h1-8,13-14,23H,9-12,22H2,(H,26,28);1-9,14,23H,10-13,22H2,(H,26,28).
What are the key properties of 6-(3-aminophenyl)-N-(4-piperazin-1-yl-3-pyridinyl)pyridine-2-carboxamide;6-(4-aminophenyl)-N-(4-piperazin-1-yl-3-pyridinyl)pyridine-2-carboxamide?
6-(3-aminophenyl)-N-(4-piperazin-1-yl-3-pyridinyl)pyridine-2-carboxamide;6-(4-aminophenyl)-N-(4-piperazin-1-yl-3-pyridinyl)pyridine-2-carboxamide has a molecular weight of 748.90 g/mol, XLogP of 4.78, 8 rotatable bonds, 6 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-aminophenyl)-N-(4-piperazin-1-yl-3-pyridinyl)pyridine-2-carboxamide;6-(4-aminophenyl)-N-(4-piperazin-1-yl-3-pyridinyl)pyridine-2-carboxamide is sourced from PubChem (CID 143750721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).