6-(1H-benzimidazol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyridine-2-carboxamide

C22H21N7O — CID 25174250

IUPAC6-(1H-benzimidazol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyridine-2-carboxamide
SMILESO=C(Nc1cnccc1N1CCNCC1)c1cccc(-c2nc3ccccc3[nH]2)n1
InChIInChI=1S/C22H21N7O/c30-22(28-19-14-24-9-8-20(19)29-12-10-23-11-13-29)18-7-3-6-17(25-18)21-26-15-4-1-2-5-16(15)27-21/h1-9,14,23H,10-13H2,(H,26,27)(H,28,30)
InChIKeyVSWXNKQTDFLODT-UHFFFAOYSA-N
MW399.46 g/mol
LogP2.68
Rot. Bonds4

About 6-(1H-benzimidazol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyridine-2-carboxamide

6-(1H-benzimidazol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyridine-2-carboxamide (PubChem CID 25174250) has the molecular formula C22H21N7O and a molecular weight of 399.46 g/mol. Its IUPAC name is 6-(1H-benzimidazol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name6-(1H-benzimidazol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyridine-2-carboxamide
PubChem CID25174250
Molecular FormulaC22H21N7O
Molecular Weight399.46 g/mol
Exact Mass399.18
IUPAC Name6-(1H-benzimidazol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyridine-2-carboxamide
SMILESO=C(Nc1cnccc1N1CCNCC1)c1cccc(-c2nc3ccccc3[nH]2)n1
InChIInChI=1S/C22H21N7O/c30-22(28-19-14-24-9-8-20(19)29-12-10-23-11-13-29)18-7-3-6-17(25-18)21-26-15-4-1-2-5-16(15)27-21/h1-9,14,23H,10-13H2,(H,26,27)(H,28,30)
InChIKeyVSWXNKQTDFLODT-UHFFFAOYSA-N
XLogP2.68
TPSA98.83 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.46
LogP ≤ 52.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(1H-benzimidazol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyridine-2-carboxamide?
The IUPAC name of 6-(1H-benzimidazol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyridine-2-carboxamide (CID 25174250) is 6-(1H-benzimidazol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyridine-2-carboxamide.
What is the SMILES notation for 6-(1H-benzimidazol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyridine-2-carboxamide?
The canonical SMILES for 6-(1H-benzimidazol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyridine-2-carboxamide is O=C(Nc1cnccc1N1CCNCC1)c1cccc(-c2nc3ccccc3[nH]2)n1.
What is the InChIKey of 6-(1H-benzimidazol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyridine-2-carboxamide?
The InChIKey is VSWXNKQTDFLODT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N7O/c30-22(28-19-14-24-9-8-20(19)29-12-10-23-11-13-29)18-7-3-6-17(25-18)21-26-15-4-1-2-5-16(15)27-21/h1-9,14,23H,10-13H2,(H,26,27)(H,28,30).
What are the key properties of 6-(1H-benzimidazol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyridine-2-carboxamide?
6-(1H-benzimidazol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyridine-2-carboxamide has a molecular weight of 399.46 g/mol, XLogP of 2.68, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1H-benzimidazol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyridine-2-carboxamide is sourced from PubChem (CID 25174250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).