N-[5-(2-amino-4-pyridinyl)-2-oxo-1H-pyridin-3-yl]-4-piperazin-1-ylbenzamide

C21H22N6O2 — CID 90261253

IUPACN-[5-(2-amino-4-pyridinyl)-2-oxo-1H-pyridin-3-yl]-4-piperazin-1-ylbenzamide
SMILESNc1cc(-c2c[nH]c(=O)c(NC(=O)c3ccc(N4CCNCC4)cc3)c2)ccn1
InChIInChI=1S/C21H22N6O2/c22-19-12-15(5-6-24-19)16-11-18(21(29)25-13-16)26-20(28)14-1-3-17(4-2-14)27-9-7-23-8-10-27/h1-6,11-13,23H,7-10H2,(H2,22,24)(H,25,29)(H,26,28)
InChIKeyBSICBXBUTARJJN-UHFFFAOYSA-N
MW390.45 g/mol
LogP1.68
Rot. Bonds4

About N-[5-(2-amino-4-pyridinyl)-2-oxo-1H-pyridin-3-yl]-4-piperazin-1-ylbenzamide

N-[5-(2-amino-4-pyridinyl)-2-oxo-1H-pyridin-3-yl]-4-piperazin-1-ylbenzamide (PubChem CID 90261253) has the molecular formula C21H22N6O2 and a molecular weight of 390.45 g/mol. Its IUPAC name is N-[5-(2-amino-4-pyridinyl)-2-oxo-1H-pyridin-3-yl]-4-piperazin-1-ylbenzamide.

Molecular Properties

Compound NameN-[5-(2-amino-4-pyridinyl)-2-oxo-1H-pyridin-3-yl]-4-piperazin-1-ylbenzamide
PubChem CID90261253
Molecular FormulaC21H22N6O2
Molecular Weight390.45 g/mol
Exact Mass390.18
IUPAC NameN-[5-(2-amino-4-pyridinyl)-2-oxo-1H-pyridin-3-yl]-4-piperazin-1-ylbenzamide
SMILESNc1cc(-c2c[nH]c(=O)c(NC(=O)c3ccc(N4CCNCC4)cc3)c2)ccn1
InChIInChI=1S/C21H22N6O2/c22-19-12-15(5-6-24-19)16-11-18(21(29)25-13-16)26-20(28)14-1-3-17(4-2-14)27-9-7-23-8-10-27/h1-6,11-13,23H,7-10H2,(H2,22,24)(H,25,29)(H,26,28)
InChIKeyBSICBXBUTARJJN-UHFFFAOYSA-N
XLogP1.68
TPSA116.14 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.45
LogP ≤ 51.68
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[5-(2-amino-4-pyridinyl)-2-oxo-1H-pyridin-3-yl]-4-piperazin-1-ylbenzamide?
The IUPAC name of N-[5-(2-amino-4-pyridinyl)-2-oxo-1H-pyridin-3-yl]-4-piperazin-1-ylbenzamide (CID 90261253) is N-[5-(2-amino-4-pyridinyl)-2-oxo-1H-pyridin-3-yl]-4-piperazin-1-ylbenzamide.
What is the SMILES notation for N-[5-(2-amino-4-pyridinyl)-2-oxo-1H-pyridin-3-yl]-4-piperazin-1-ylbenzamide?
The canonical SMILES for N-[5-(2-amino-4-pyridinyl)-2-oxo-1H-pyridin-3-yl]-4-piperazin-1-ylbenzamide is Nc1cc(-c2c[nH]c(=O)c(NC(=O)c3ccc(N4CCNCC4)cc3)c2)ccn1.
What is the InChIKey of N-[5-(2-amino-4-pyridinyl)-2-oxo-1H-pyridin-3-yl]-4-piperazin-1-ylbenzamide?
The InChIKey is BSICBXBUTARJJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N6O2/c22-19-12-15(5-6-24-19)16-11-18(21(29)25-13-16)26-20(28)14-1-3-17(4-2-14)27-9-7-23-8-10-27/h1-6,11-13,23H,7-10H2,(H2,22,24)(H,25,29)(H,26,28).
What are the key properties of N-[5-(2-amino-4-pyridinyl)-2-oxo-1H-pyridin-3-yl]-4-piperazin-1-ylbenzamide?
N-[5-(2-amino-4-pyridinyl)-2-oxo-1H-pyridin-3-yl]-4-piperazin-1-ylbenzamide has a molecular weight of 390.45 g/mol, XLogP of 1.68, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2-amino-4-pyridinyl)-2-oxo-1H-pyridin-3-yl]-4-piperazin-1-ylbenzamide is sourced from PubChem (CID 90261253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).