N-[6-(4-benzylpiperazin-1-yl)pyrimidin-4-yl]quinoline-2-carboxamide

C25H24N6O — CID 71795002

IUPACN-[6-(4-benzylpiperazin-1-yl)pyrimidin-4-yl]quinoline-2-carboxamide
SMILESO=C(Nc1cc(N2CCN(Cc3ccccc3)CC2)ncn1)c1ccc2ccccc2n1
InChIInChI=1S/C25H24N6O/c32-25(22-11-10-20-8-4-5-9-21(20)28-22)29-23-16-24(27-18-26-23)31-14-12-30(13-15-31)17-19-6-2-1-3-7-19/h1-11,16,18H,12-15,17H2,(H,26,27,29,32)
InChIKeyOIMKJMFNMYGRND-UHFFFAOYSA-N
MW424.51 g/mol
LogP3.60
Rot. Bonds5

About N-[6-(4-benzylpiperazin-1-yl)pyrimidin-4-yl]quinoline-2-carboxamide

N-[6-(4-benzylpiperazin-1-yl)pyrimidin-4-yl]quinoline-2-carboxamide (PubChem CID 71795002) has the molecular formula C25H24N6O and a molecular weight of 424.51 g/mol. Its IUPAC name is N-[6-(4-benzylpiperazin-1-yl)pyrimidin-4-yl]quinoline-2-carboxamide.

Molecular Properties

Compound NameN-[6-(4-benzylpiperazin-1-yl)pyrimidin-4-yl]quinoline-2-carboxamide
PubChem CID71795002
Molecular FormulaC25H24N6O
Molecular Weight424.51 g/mol
Exact Mass424.20
IUPAC NameN-[6-(4-benzylpiperazin-1-yl)pyrimidin-4-yl]quinoline-2-carboxamide
SMILESO=C(Nc1cc(N2CCN(Cc3ccccc3)CC2)ncn1)c1ccc2ccccc2n1
InChIInChI=1S/C25H24N6O/c32-25(22-11-10-20-8-4-5-9-21(20)28-22)29-23-16-24(27-18-26-23)31-14-12-30(13-15-31)17-19-6-2-1-3-7-19/h1-11,16,18H,12-15,17H2,(H,26,27,29,32)
InChIKeyOIMKJMFNMYGRND-UHFFFAOYSA-N
XLogP3.60
TPSA74.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.51
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[6-(4-benzylpiperazin-1-yl)pyrimidin-4-yl]quinoxaline-6-carboxamide
CID 90545791
N-[6-(4-benzylpiperazin-1-yl)pyrimidin-4-yl]-2-oxo-1H-pyridine-3-carboxamide
CID 90545579
N-[6-(4-benzylpiperazin-1-yl)pyrimidin-4-yl]-1,3-benzothiazole-6-carboxamide
CID 90545699
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
1-[6-(4-benzylpiperazin-1-yl)pyrimidin-4-yl]-3-thiophen-2-ylurea
CID 71795031
N-[6-(4-benzylpiperazin-1-yl)pyrimidin-4-yl]-3-(2-methoxyphenyl)-1H-pyrazole-5-carboxamide
CID 90545806
1-[6-(4-benzylpiperazin-1-yl)pyrimidin-4-yl]-3-(2-phenoxyethyl)urea
CID 90545898
N-[6-(4-benzylpiperazin-1-yl)pyrimidin-4-yl]-2-(3-chlorophenoxy)acetamide
CID 90545647
N-[6-(4-benzylpiperazin-1-yl)pyrimidin-4-yl]-4-methyl-2-thiophen-2-yl-1,3-thiazole-5-carboxamide
CID 90545664
N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]quinoline-2-carboxamide
CID 55663087

Frequently Asked Questions

What is the IUPAC name of N-[6-(4-benzylpiperazin-1-yl)pyrimidin-4-yl]quinoline-2-carboxamide?
The IUPAC name of N-[6-(4-benzylpiperazin-1-yl)pyrimidin-4-yl]quinoline-2-carboxamide (CID 71795002) is N-[6-(4-benzylpiperazin-1-yl)pyrimidin-4-yl]quinoline-2-carboxamide.
What is the SMILES notation for N-[6-(4-benzylpiperazin-1-yl)pyrimidin-4-yl]quinoline-2-carboxamide?
The canonical SMILES for N-[6-(4-benzylpiperazin-1-yl)pyrimidin-4-yl]quinoline-2-carboxamide is O=C(Nc1cc(N2CCN(Cc3ccccc3)CC2)ncn1)c1ccc2ccccc2n1.
What is the InChIKey of N-[6-(4-benzylpiperazin-1-yl)pyrimidin-4-yl]quinoline-2-carboxamide?
The InChIKey is OIMKJMFNMYGRND-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N6O/c32-25(22-11-10-20-8-4-5-9-21(20)28-22)29-23-16-24(27-18-26-23)31-14-12-30(13-15-31)17-19-6-2-1-3-7-19/h1-11,16,18H,12-15,17H2,(H,26,27,29,32).
What are the key properties of N-[6-(4-benzylpiperazin-1-yl)pyrimidin-4-yl]quinoline-2-carboxamide?
N-[6-(4-benzylpiperazin-1-yl)pyrimidin-4-yl]quinoline-2-carboxamide has a molecular weight of 424.51 g/mol, XLogP of 3.60, 5 rotatable bonds, 1 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]quinoline-2-carboxamide is sourced from PubChem (CID 71795002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).