6-(2-oxo-3-piperidin-4-ylbenzimidazol-1-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyridine-2-carboxamide

C27H30N8O2 — CID 25175229

IUPAC6-(2-oxo-3-piperidin-4-ylbenzimidazol-1-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyridine-2-carboxamide
SMILESO=C(Nc1cnccc1N1CCNCC1)c1cccc(-n2c(=O)n(C3CCNCC3)c3ccccc32)n1
InChIInChI=1S/C27H30N8O2/c36-26(32-21-18-30-13-10-22(21)33-16-14-29-15-17-33)20-4-3-7-25(31-20)35-24-6-2-1-5-23(24)34(27(35)37)19-8-11-28-12-9-19/h1-7,10,13,18-19,28-29H,8-9,11-12,14-17H2,(H,32,36)
InChIKeyUMEYGYVPFDFRCU-UHFFFAOYSA-N
MW498.59 g/mol
LogP2.17
Rot. Bonds5

About 6-(2-oxo-3-piperidin-4-ylbenzimidazol-1-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyridine-2-carboxamide

6-(2-oxo-3-piperidin-4-ylbenzimidazol-1-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyridine-2-carboxamide (PubChem CID 25175229) has the molecular formula C27H30N8O2 and a molecular weight of 498.59 g/mol. Its IUPAC name is 6-(2-oxo-3-piperidin-4-ylbenzimidazol-1-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name6-(2-oxo-3-piperidin-4-ylbenzimidazol-1-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyridine-2-carboxamide
PubChem CID25175229
Molecular FormulaC27H30N8O2
Molecular Weight498.59 g/mol
Exact Mass498.25
IUPAC Name6-(2-oxo-3-piperidin-4-ylbenzimidazol-1-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyridine-2-carboxamide
SMILESO=C(Nc1cnccc1N1CCNCC1)c1cccc(-n2c(=O)n(C3CCNCC3)c3ccccc32)n1
InChIInChI=1S/C27H30N8O2/c36-26(32-21-18-30-13-10-22(21)33-16-14-29-15-17-33)20-4-3-7-25(31-20)35-24-6-2-1-5-23(24)34(27(35)37)19-8-11-28-12-9-19/h1-7,10,13,18-19,28-29H,8-9,11-12,14-17H2,(H,32,36)
InChIKeyUMEYGYVPFDFRCU-UHFFFAOYSA-N
XLogP2.17
TPSA109.11 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.59
LogP ≤ 52.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 6-(2-oxo-3-piperidin-4-ylbenzimidazol-1-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyridine-2-carboxamide?
The IUPAC name of 6-(2-oxo-3-piperidin-4-ylbenzimidazol-1-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyridine-2-carboxamide (CID 25175229) is 6-(2-oxo-3-piperidin-4-ylbenzimidazol-1-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyridine-2-carboxamide.
What is the SMILES notation for 6-(2-oxo-3-piperidin-4-ylbenzimidazol-1-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyridine-2-carboxamide?
The canonical SMILES for 6-(2-oxo-3-piperidin-4-ylbenzimidazol-1-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyridine-2-carboxamide is O=C(Nc1cnccc1N1CCNCC1)c1cccc(-n2c(=O)n(C3CCNCC3)c3ccccc32)n1.
What is the InChIKey of 6-(2-oxo-3-piperidin-4-ylbenzimidazol-1-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyridine-2-carboxamide?
The InChIKey is UMEYGYVPFDFRCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N8O2/c36-26(32-21-18-30-13-10-22(21)33-16-14-29-15-17-33)20-4-3-7-25(31-20)35-24-6-2-1-5-23(24)34(27(35)37)19-8-11-28-12-9-19/h1-7,10,13,18-19,28-29H,8-9,11-12,14-17H2,(H,32,36).
What are the key properties of 6-(2-oxo-3-piperidin-4-ylbenzimidazol-1-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyridine-2-carboxamide?
6-(2-oxo-3-piperidin-4-ylbenzimidazol-1-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyridine-2-carboxamide has a molecular weight of 498.59 g/mol, XLogP of 2.17, 5 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-oxo-3-piperidin-4-ylbenzimidazol-1-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyridine-2-carboxamide is sourced from PubChem (CID 25175229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).