N-[6-(4-benzylpiperazin-1-yl)pyrimidin-4-yl]-2-oxo-1H-pyridine-3-carboxamide

C21H22N6O2 — CID 90545579

IUPACN-[6-(4-benzylpiperazin-1-yl)pyrimidin-4-yl]-2-oxo-1H-pyridine-3-carboxamide
SMILESO=C(Nc1cc(N2CCN(Cc3ccccc3)CC2)ncn1)c1ccc[nH]c1=O
InChIInChI=1S/C21H22N6O2/c28-20-17(7-4-8-22-20)21(29)25-18-13-19(24-15-23-18)27-11-9-26(10-12-27)14-16-5-2-1-3-6-16/h1-8,13,15H,9-12,14H2,(H,22,28)(H,23,24,25,29)
InChIKeyYKGVRSFPBJJXFU-UHFFFAOYSA-N
MW390.45 g/mol
LogP1.74
Rot. Bonds5

About N-[6-(4-benzylpiperazin-1-yl)pyrimidin-4-yl]-2-oxo-1H-pyridine-3-carboxamide

N-[6-(4-benzylpiperazin-1-yl)pyrimidin-4-yl]-2-oxo-1H-pyridine-3-carboxamide (PubChem CID 90545579) has the molecular formula C21H22N6O2 and a molecular weight of 390.45 g/mol. Its IUPAC name is N-[6-(4-benzylpiperazin-1-yl)pyrimidin-4-yl]-2-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[6-(4-benzylpiperazin-1-yl)pyrimidin-4-yl]-2-oxo-1H-pyridine-3-carboxamide
PubChem CID90545579
Molecular FormulaC21H22N6O2
Molecular Weight390.45 g/mol
Exact Mass390.18
IUPAC NameN-[6-(4-benzylpiperazin-1-yl)pyrimidin-4-yl]-2-oxo-1H-pyridine-3-carboxamide
SMILESO=C(Nc1cc(N2CCN(Cc3ccccc3)CC2)ncn1)c1ccc[nH]c1=O
InChIInChI=1S/C21H22N6O2/c28-20-17(7-4-8-22-20)21(29)25-18-13-19(24-15-23-18)27-11-9-26(10-12-27)14-16-5-2-1-3-6-16/h1-8,13,15H,9-12,14H2,(H,22,28)(H,23,24,25,29)
InChIKeyYKGVRSFPBJJXFU-UHFFFAOYSA-N
XLogP1.74
TPSA94.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.45
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[6-(4-benzylpiperazin-1-yl)pyrimidin-4-yl]quinoline-2-carboxamide
CID 71795002
N-[6-(4-benzylpiperazin-1-yl)pyrimidin-4-yl]quinoxaline-6-carboxamide
CID 90545791
N-[6-(4-benzylpiperazin-1-yl)pyrimidin-4-yl]-3-(2-methoxyphenyl)-1H-pyrazole-5-carboxamide
CID 90545806
N-[6-(4-benzylpiperazin-1-yl)pyrimidin-4-yl]-2-(3-methylphenyl)acetamide
CID 90545602
1-[6-(4-benzylpiperazin-1-yl)pyrimidin-4-yl]-3-(2-methylphenyl)urea
CID 71795030
1-[6-(4-benzylpiperazin-1-yl)pyrimidin-4-yl]-3-cyclohexylurea
CID 90545849
N-[6-(4-benzylpiperazin-1-yl)pyrimidin-4-yl]-1,3-benzothiazole-6-carboxamide
CID 90545699
1-[6-(4-benzylpiperazin-1-yl)pyrimidin-4-yl]-3-thiophen-2-ylurea
CID 71795031
1-[6-(4-benzylpiperazin-1-yl)pyrimidin-4-yl]-3-(2-phenoxyethyl)urea
CID 90545898
N-[6-(4-benzylpiperazin-1-yl)pyrimidin-4-yl]-1-(6-pyrazol-1-ylpyrimidin-4-yl)piperidine-4-carboxamide
CID 90545831
N-[6-(4-benzylpiperazin-1-yl)pyrimidin-4-yl]-2-(3-chlorophenoxy)acetamide
CID 90545647
2-fluoro-N-[6-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]benzamide
CID 90545166

Frequently Asked Questions

What is the IUPAC name of N-[6-(4-benzylpiperazin-1-yl)pyrimidin-4-yl]-2-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of N-[6-(4-benzylpiperazin-1-yl)pyrimidin-4-yl]-2-oxo-1H-pyridine-3-carboxamide (CID 90545579) is N-[6-(4-benzylpiperazin-1-yl)pyrimidin-4-yl]-2-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-[6-(4-benzylpiperazin-1-yl)pyrimidin-4-yl]-2-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for N-[6-(4-benzylpiperazin-1-yl)pyrimidin-4-yl]-2-oxo-1H-pyridine-3-carboxamide is O=C(Nc1cc(N2CCN(Cc3ccccc3)CC2)ncn1)c1ccc[nH]c1=O.
What is the InChIKey of N-[6-(4-benzylpiperazin-1-yl)pyrimidin-4-yl]-2-oxo-1H-pyridine-3-carboxamide?
The InChIKey is YKGVRSFPBJJXFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N6O2/c28-20-17(7-4-8-22-20)21(29)25-18-13-19(24-15-23-18)27-11-9-26(10-12-27)14-16-5-2-1-3-6-16/h1-8,13,15H,9-12,14H2,(H,22,28)(H,23,24,25,29).
What are the key properties of N-[6-(4-benzylpiperazin-1-yl)pyrimidin-4-yl]-2-oxo-1H-pyridine-3-carboxamide?
N-[6-(4-benzylpiperazin-1-yl)pyrimidin-4-yl]-2-oxo-1H-pyridine-3-carboxamide has a molecular weight of 390.45 g/mol, XLogP of 1.74, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(4-benzylpiperazin-1-yl)pyrimidin-4-yl]-2-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 90545579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).