N-benzyl-6-methyl-2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidine-4-carboxamide

C22H24N6O — CID 109327240

IUPACN-benzyl-6-methyl-2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidine-4-carboxamide
SMILESCc1cc(C(=O)NCc2ccccc2)nc(N2CCN(c3ccccn3)CC2)n1
InChIInChI=1S/C22H24N6O/c1-17-15-19(21(29)24-16-18-7-3-2-4-8-18)26-22(25-17)28-13-11-27(12-14-28)20-9-5-6-10-23-20/h2-10,15H,11-14,16H2,1H3,(H,24,29)
InChIKeyOEDINURJQWFPGX-UHFFFAOYSA-N
MW388.48 g/mol
LogP2.44
Rot. Bonds5

About N-benzyl-6-methyl-2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidine-4-carboxamide

N-benzyl-6-methyl-2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidine-4-carboxamide (PubChem CID 109327240) has the molecular formula C22H24N6O and a molecular weight of 388.48 g/mol. Its IUPAC name is N-benzyl-6-methyl-2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-benzyl-6-methyl-2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidine-4-carboxamide
PubChem CID109327240
Molecular FormulaC22H24N6O
Molecular Weight388.48 g/mol
Exact Mass388.20
IUPAC NameN-benzyl-6-methyl-2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidine-4-carboxamide
SMILESCc1cc(C(=O)NCc2ccccc2)nc(N2CCN(c3ccccn3)CC2)n1
InChIInChI=1S/C22H24N6O/c1-17-15-19(21(29)24-16-18-7-3-2-4-8-18)26-22(25-17)28-13-11-27(12-14-28)20-9-5-6-10-23-20/h2-10,15H,11-14,16H2,1H3,(H,24,29)
InChIKeyOEDINURJQWFPGX-UHFFFAOYSA-N
XLogP2.44
TPSA74.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.48
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-benzyl-6-methyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidine-4-carboxamide
CID 109327241
N-benzyl-6-methyl-2-(4-phenylpiperazin-1-yl)pyrimidine-4-carboxamide
CID 109327232
N-benzyl-4-(4-pyridin-2-ylpiperazin-1-yl)pyridine-2-carboxamide
CID 109209654
2-(4-formylpiperazin-1-yl)-6-methyl-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide
CID 109326296
6-methyl-2-morpholin-4-yl-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide
CID 56731265
N-benzyl-2-(4-pyridin-2-ylpiperazin-1-yl)pyridine-4-carboxamide
CID 109169442
2-(4-formylpiperazin-1-yl)-6-methyl-N-[(4-methylphenyl)methyl]pyrimidine-4-carboxamide
CID 109326285
[2-(benzylamino)-6-methylpyrimidin-4-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 109327103
N-[(3-methylphenyl)methyl]-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidine-4-carboxamide
CID 109347173
2-(4-ethylpiperazin-1-yl)-6-methyl-N-(2-phenylethyl)pyrimidine-4-carboxamide
CID 109326029
2-(4-acetylpiperazin-1-yl)-N-[(2-fluorophenyl)methyl]-6-methylpyrimidine-4-carboxamide
CID 109326558
2-(azepan-1-yl)-N-benzylpyrimidine-4-carboxamide
CID 109303801

Frequently Asked Questions

What is the IUPAC name of N-benzyl-6-methyl-2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidine-4-carboxamide?
The IUPAC name of N-benzyl-6-methyl-2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidine-4-carboxamide (CID 109327240) is N-benzyl-6-methyl-2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidine-4-carboxamide.
What is the SMILES notation for N-benzyl-6-methyl-2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidine-4-carboxamide?
The canonical SMILES for N-benzyl-6-methyl-2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidine-4-carboxamide is Cc1cc(C(=O)NCc2ccccc2)nc(N2CCN(c3ccccn3)CC2)n1.
What is the InChIKey of N-benzyl-6-methyl-2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidine-4-carboxamide?
The InChIKey is OEDINURJQWFPGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N6O/c1-17-15-19(21(29)24-16-18-7-3-2-4-8-18)26-22(25-17)28-13-11-27(12-14-28)20-9-5-6-10-23-20/h2-10,15H,11-14,16H2,1H3,(H,24,29).
What are the key properties of N-benzyl-6-methyl-2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidine-4-carboxamide?
N-benzyl-6-methyl-2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidine-4-carboxamide has a molecular weight of 388.48 g/mol, XLogP of 2.44, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-6-methyl-2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidine-4-carboxamide is sourced from PubChem (CID 109327240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).