6-(2-oxo-1,3-benzoxazol-3-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyridine-2-carboxamide

C22H20N6O3 — CID 25175065

IUPAC6-(2-oxo-1,3-benzoxazol-3-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyridine-2-carboxamide
SMILESO=C(Nc1cnccc1N1CCNCC1)c1cccc(-n2c(=O)oc3ccccc32)n1
InChIInChI=1S/C22H20N6O3/c29-21(26-16-14-24-9-8-17(16)27-12-10-23-11-13-27)15-4-3-7-20(25-15)28-18-5-1-2-6-19(18)31-22(28)30/h1-9,14,23H,10-13H2,(H,26,29)
InChIKeyXPAGBCNFDOARKJ-UHFFFAOYSA-N
MW416.44 g/mol
LogP2.04
Rot. Bonds4

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

6-(2-oxo-1,3-benzoxazol-3-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyridine-2-carboxamide (PubChem CID 25175065) has the molecular formula C22H20N6O3 and a molecular weight of 416.44 g/mol. Its IUPAC name is 6-(2-oxo-1,3-benzoxazol-3-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name6-(2-oxo-1,3-benzoxazol-3-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyridine-2-carboxamide
PubChem CID25175065
Molecular FormulaC22H20N6O3
Molecular Weight416.44 g/mol
Exact Mass416.16
IUPAC Name6-(2-oxo-1,3-benzoxazol-3-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyridine-2-carboxamide
SMILESO=C(Nc1cnccc1N1CCNCC1)c1cccc(-n2c(=O)oc3ccccc32)n1
InChIInChI=1S/C22H20N6O3/c29-21(26-16-14-24-9-8-17(16)27-12-10-23-11-13-27)15-4-3-7-20(25-15)28-18-5-1-2-6-19(18)31-22(28)30/h1-9,14,23H,10-13H2,(H,26,29)
InChIKeyXPAGBCNFDOARKJ-UHFFFAOYSA-N
XLogP2.04
TPSA105.29 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.44
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-(2-oxo-1,3-benzoxazol-3-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyridine-2-carboxamide?
The IUPAC name of 6-(2-oxo-1,3-benzoxazol-3-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyridine-2-carboxamide (CID 25175065) is 6-(2-oxo-1,3-benzoxazol-3-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyridine-2-carboxamide.
What is the SMILES notation for 6-(2-oxo-1,3-benzoxazol-3-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyridine-2-carboxamide?
The canonical SMILES for 6-(2-oxo-1,3-benzoxazol-3-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyridine-2-carboxamide is O=C(Nc1cnccc1N1CCNCC1)c1cccc(-n2c(=O)oc3ccccc32)n1.
What is the InChIKey of 6-(2-oxo-1,3-benzoxazol-3-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyridine-2-carboxamide?
The InChIKey is XPAGBCNFDOARKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N6O3/c29-21(26-16-14-24-9-8-17(16)27-12-10-23-11-13-27)15-4-3-7-20(25-15)28-18-5-1-2-6-19(18)31-22(28)30/h1-9,14,23H,10-13H2,(H,26,29).
What are the key properties of 6-(2-oxo-1,3-benzoxazol-3-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyridine-2-carboxamide?
6-(2-oxo-1,3-benzoxazol-3-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyridine-2-carboxamide has a molecular weight of 416.44 g/mol, XLogP of 2.04, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-oxo-1,3-benzoxazol-3-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyridine-2-carboxamide is sourced from PubChem (CID 25175065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).