6-(3-benzamidopiperidin-1-yl)-2-(4-piperazin-1-ylanilino)pyridine-3-carboxamide

C28H33N7O2 — CID 66832621

IUPAC6-(3-benzamidopiperidin-1-yl)-2-(4-piperazin-1-ylanilino)pyridine-3-carboxamide
SMILESNC(=O)c1ccc(N2CCCC(NC(=O)c3ccccc3)C2)nc1Nc1ccc(N2CCNCC2)cc1
InChIInChI=1S/C28H33N7O2/c29-26(36)24-12-13-25(35-16-4-7-22(19-35)32-28(37)20-5-2-1-3-6-20)33-27(24)31-21-8-10-23(11-9-21)34-17-14-30-15-18-34/h1-3,5-6,8-13,22,30H,4,7,14-19H2,(H2,29,36)(H,31,33)(H,32,37)
InChIKeyCDLKCNNLZBBXLK-UHFFFAOYSA-N
MW499.62 g/mol
LogP2.73
Rot. Bonds7

About 6-(3-benzamidopiperidin-1-yl)-2-(4-piperazin-1-ylanilino)pyridine-3-carboxamide

6-(3-benzamidopiperidin-1-yl)-2-(4-piperazin-1-ylanilino)pyridine-3-carboxamide (PubChem CID 66832621) has the molecular formula C28H33N7O2 and a molecular weight of 499.62 g/mol. Its IUPAC name is 6-(3-benzamidopiperidin-1-yl)-2-(4-piperazin-1-ylanilino)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-(3-benzamidopiperidin-1-yl)-2-(4-piperazin-1-ylanilino)pyridine-3-carboxamide
PubChem CID66832621
Molecular FormulaC28H33N7O2
Molecular Weight499.62 g/mol
Exact Mass499.27
IUPAC Name6-(3-benzamidopiperidin-1-yl)-2-(4-piperazin-1-ylanilino)pyridine-3-carboxamide
SMILESNC(=O)c1ccc(N2CCCC(NC(=O)c3ccccc3)C2)nc1Nc1ccc(N2CCNCC2)cc1
InChIInChI=1S/C28H33N7O2/c29-26(36)24-12-13-25(35-16-4-7-22(19-35)32-28(37)20-5-2-1-3-6-20)33-27(24)31-21-8-10-23(11-9-21)34-17-14-30-15-18-34/h1-3,5-6,8-13,22,30H,4,7,14-19H2,(H2,29,36)(H,31,33)(H,32,37)
InChIKeyCDLKCNNLZBBXLK-UHFFFAOYSA-N
XLogP2.73
TPSA115.62 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.62
LogP ≤ 52.73
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-(3-benzamidopiperidin-1-yl)-2-(4-piperazin-1-ylanilino)pyridine-3-carboxamide?
The IUPAC name of 6-(3-benzamidopiperidin-1-yl)-2-(4-piperazin-1-ylanilino)pyridine-3-carboxamide (CID 66832621) is 6-(3-benzamidopiperidin-1-yl)-2-(4-piperazin-1-ylanilino)pyridine-3-carboxamide.
What is the SMILES notation for 6-(3-benzamidopiperidin-1-yl)-2-(4-piperazin-1-ylanilino)pyridine-3-carboxamide?
The canonical SMILES for 6-(3-benzamidopiperidin-1-yl)-2-(4-piperazin-1-ylanilino)pyridine-3-carboxamide is NC(=O)c1ccc(N2CCCC(NC(=O)c3ccccc3)C2)nc1Nc1ccc(N2CCNCC2)cc1.
What is the InChIKey of 6-(3-benzamidopiperidin-1-yl)-2-(4-piperazin-1-ylanilino)pyridine-3-carboxamide?
The InChIKey is CDLKCNNLZBBXLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H33N7O2/c29-26(36)24-12-13-25(35-16-4-7-22(19-35)32-28(37)20-5-2-1-3-6-20)33-27(24)31-21-8-10-23(11-9-21)34-17-14-30-15-18-34/h1-3,5-6,8-13,22,30H,4,7,14-19H2,(H2,29,36)(H,31,33)(H,32,37).
What are the key properties of 6-(3-benzamidopiperidin-1-yl)-2-(4-piperazin-1-ylanilino)pyridine-3-carboxamide?
6-(3-benzamidopiperidin-1-yl)-2-(4-piperazin-1-ylanilino)pyridine-3-carboxamide has a molecular weight of 499.62 g/mol, XLogP of 2.73, 7 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-benzamidopiperidin-1-yl)-2-(4-piperazin-1-ylanilino)pyridine-3-carboxamide is sourced from PubChem (CID 66832621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).