6-[4-(2,6-dimethylpyrimidin-4-yl)piperazin-1-yl]-N-methylpyridine-2-carboxamide

C17H22N6O — CID 71996644

IUPAC6-[4-(2,6-dimethylpyrimidin-4-yl)piperazin-1-yl]-N-methylpyridine-2-carboxamide
SMILESCNC(=O)c1cccc(N2CCN(c3cc(C)nc(C)n3)CC2)n1
InChIInChI=1S/C17H22N6O/c1-12-11-16(20-13(2)19-12)23-9-7-22(8-10-23)15-6-4-5-14(21-15)17(24)18-3/h4-6,11H,7-10H2,1-3H3,(H,18,24)
InChIKeyFXVDRGCTAQFMPJ-UHFFFAOYSA-N
MW326.40 g/mol
LogP1.17
Rot. Bonds3

About 6-[4-(2,6-dimethylpyrimidin-4-yl)piperazin-1-yl]-N-methylpyridine-2-carboxamide

6-[4-(2,6-dimethylpyrimidin-4-yl)piperazin-1-yl]-N-methylpyridine-2-carboxamide (PubChem CID 71996644) has the molecular formula C17H22N6O and a molecular weight of 326.40 g/mol. Its IUPAC name is 6-[4-(2,6-dimethylpyrimidin-4-yl)piperazin-1-yl]-N-methylpyridine-2-carboxamide.

Molecular Properties

Compound Name6-[4-(2,6-dimethylpyrimidin-4-yl)piperazin-1-yl]-N-methylpyridine-2-carboxamide
PubChem CID71996644
Molecular FormulaC17H22N6O
Molecular Weight326.40 g/mol
Exact Mass326.19
IUPAC Name6-[4-(2,6-dimethylpyrimidin-4-yl)piperazin-1-yl]-N-methylpyridine-2-carboxamide
SMILESCNC(=O)c1cccc(N2CCN(c3cc(C)nc(C)n3)CC2)n1
InChIInChI=1S/C17H22N6O/c1-12-11-16(20-13(2)19-12)23-9-7-22(8-10-23)15-6-4-5-14(21-15)17(24)18-3/h4-6,11H,7-10H2,1-3H3,(H,18,24)
InChIKeyFXVDRGCTAQFMPJ-UHFFFAOYSA-N
XLogP1.17
TPSA74.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-methyl-6-[4-(5-methylfuran-2-carbonyl)piperazin-1-yl]pyridine-2-carboxamide
CID 71996598
N-(3,5-dimethylphenyl)-6-pyrrolidin-1-ylpyridine-2-carboxamide
CID 84573584
2,4-dimethyl-6-(4-phenylpiperazin-1-yl)pyrimidine;hydrochloride
CID 16805641
4-[4-(3-bromophenyl)piperazin-1-yl]-2,6-dimethylpyrimidine
CID 163356432
N-methyl-6-[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]pyridazine-3-carboxamide
CID 133458571
N-(2-hydroxyethyl)-6-(4-methylpiperazin-1-yl)pyridine-2-carboxamide
CID 84575178
N-(3,4-dimethylphenyl)-6-pyrrolidin-1-ylpyridine-2-carboxamide
CID 84573565
2-methyl-6-[4-(3-methylphenyl)piperazin-1-yl]-N-propan-2-ylpyrimidine-4-carboxamide
CID 109360632
N-ethyl-6-piperidin-1-ylpyridine-2-carboxamide
CID 84575172
N-(3-acetylphenyl)-6-(4-methylpiperazin-1-yl)pyridine-2-carboxamide
CID 84574044
N-tert-butyl-2-[4-(2,6-dimethylpyrimidin-4-yl)piperazin-1-yl]propanamide
CID 86868244
4-[6-[4-(2,6-dimethylpyrimidin-4-yl)piperazin-1-yl]-2-methylpyrimidin-4-yl]morpholine
CID 146078312

Frequently Asked Questions

What is the IUPAC name of 6-[4-(2,6-dimethylpyrimidin-4-yl)piperazin-1-yl]-N-methylpyridine-2-carboxamide?
The IUPAC name of 6-[4-(2,6-dimethylpyrimidin-4-yl)piperazin-1-yl]-N-methylpyridine-2-carboxamide (CID 71996644) is 6-[4-(2,6-dimethylpyrimidin-4-yl)piperazin-1-yl]-N-methylpyridine-2-carboxamide.
What is the SMILES notation for 6-[4-(2,6-dimethylpyrimidin-4-yl)piperazin-1-yl]-N-methylpyridine-2-carboxamide?
The canonical SMILES for 6-[4-(2,6-dimethylpyrimidin-4-yl)piperazin-1-yl]-N-methylpyridine-2-carboxamide is CNC(=O)c1cccc(N2CCN(c3cc(C)nc(C)n3)CC2)n1.
What is the InChIKey of 6-[4-(2,6-dimethylpyrimidin-4-yl)piperazin-1-yl]-N-methylpyridine-2-carboxamide?
The InChIKey is FXVDRGCTAQFMPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N6O/c1-12-11-16(20-13(2)19-12)23-9-7-22(8-10-23)15-6-4-5-14(21-15)17(24)18-3/h4-6,11H,7-10H2,1-3H3,(H,18,24).
What are the key properties of 6-[4-(2,6-dimethylpyrimidin-4-yl)piperazin-1-yl]-N-methylpyridine-2-carboxamide?
6-[4-(2,6-dimethylpyrimidin-4-yl)piperazin-1-yl]-N-methylpyridine-2-carboxamide has a molecular weight of 326.40 g/mol, XLogP of 1.17, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(2,6-dimethylpyrimidin-4-yl)piperazin-1-yl]-N-methylpyridine-2-carboxamide is sourced from PubChem (CID 71996644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).