N-benzyl-N-methyl-2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidine-5-carboxamide

C22H24N6O — CID 109256640

IUPACN-benzyl-N-methyl-2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidine-5-carboxamide
SMILESCN(Cc1ccccc1)C(=O)c1cnc(N2CCN(c3ccccn3)CC2)nc1
InChIInChI=1S/C22H24N6O/c1-26(17-18-7-3-2-4-8-18)21(29)19-15-24-22(25-16-19)28-13-11-27(12-14-28)20-9-5-6-10-23-20/h2-10,15-16H,11-14,17H2,1H3
InChIKeyQFZDCILQNPVVBY-UHFFFAOYSA-N
MW388.48 g/mol
LogP2.47
Rot. Bonds5

About N-benzyl-N-methyl-2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidine-5-carboxamide

N-benzyl-N-methyl-2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidine-5-carboxamide (PubChem CID 109256640) has the molecular formula C22H24N6O and a molecular weight of 388.48 g/mol. Its IUPAC name is N-benzyl-N-methyl-2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-benzyl-N-methyl-2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidine-5-carboxamide
PubChem CID109256640
Molecular FormulaC22H24N6O
Molecular Weight388.48 g/mol
Exact Mass388.20
IUPAC NameN-benzyl-N-methyl-2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidine-5-carboxamide
SMILESCN(Cc1ccccc1)C(=O)c1cnc(N2CCN(c3ccccn3)CC2)nc1
InChIInChI=1S/C22H24N6O/c1-26(17-18-7-3-2-4-8-18)21(29)19-15-24-22(25-16-19)28-13-11-27(12-14-28)20-9-5-6-10-23-20/h2-10,15-16H,11-14,17H2,1H3
InChIKeyQFZDCILQNPVVBY-UHFFFAOYSA-N
XLogP2.47
TPSA65.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.48
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-benzyl-N-methyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)pyridine-4-carboxamide
CID 109170232
N-benzyl-N-methyl-6-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)-1H-pyrimidine-5-carboxamide
CID 42843972
2-(4-acetylpiperazin-1-yl)-N-benzyl-N-methylpyridine-4-carboxamide
CID 109169122
N-benzyl-N-methyl-1-(4-pyridin-2-ylpiperazine-1-carbonyl)cyclopropane-1-carboxamide
CID 108975525
2-(4-acetylpiperazin-1-yl)-N-benzyl-N-ethylpyrimidine-5-carboxamide
CID 109254752
N-benzyl-N-ethyl-2-piperidin-1-ylpyrimidine-5-carboxamide
CID 109250116
N-benzyl-N-propan-2-yl-2-pyrrolidin-1-ylpyrimidine-5-carboxamide
CID 109249433
2-(4-acetylpiperazin-1-yl)-N-benzyl-N-propan-2-ylpyrimidine-5-carboxamide
CID 109254780
2-(4-benzylpiperazin-1-yl)-N-methyl-N-phenylpyrimidine-5-carboxamide
CID 109261095
2-[methyl(3-phenylpropyl)amino]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone
CID 55703482
2-(azepan-1-yl)-N-benzyl-N-phenylpyrimidine-5-carboxamide
CID 109265025
1-benzyl-3-ethyl-1-methyl-2-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]guanidine;hydroiodide
CID 110951101

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-methyl-2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidine-5-carboxamide?
The IUPAC name of N-benzyl-N-methyl-2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidine-5-carboxamide (CID 109256640) is N-benzyl-N-methyl-2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidine-5-carboxamide.
What is the SMILES notation for N-benzyl-N-methyl-2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidine-5-carboxamide?
The canonical SMILES for N-benzyl-N-methyl-2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidine-5-carboxamide is CN(Cc1ccccc1)C(=O)c1cnc(N2CCN(c3ccccn3)CC2)nc1.
What is the InChIKey of N-benzyl-N-methyl-2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidine-5-carboxamide?
The InChIKey is QFZDCILQNPVVBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N6O/c1-26(17-18-7-3-2-4-8-18)21(29)19-15-24-22(25-16-19)28-13-11-27(12-14-28)20-9-5-6-10-23-20/h2-10,15-16H,11-14,17H2,1H3.
What are the key properties of N-benzyl-N-methyl-2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidine-5-carboxamide?
N-benzyl-N-methyl-2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidine-5-carboxamide has a molecular weight of 388.48 g/mol, XLogP of 2.47, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-methyl-2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidine-5-carboxamide is sourced from PubChem (CID 109256640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).