3-[(2R)-4-acetyl-1-[2-[(6-methyl-3-pyridinyl)oxy]pyridine-3-carbonyl]piperazin-2-yl]-N-methylbenzamide

C26H27N5O4 — CID 125010756

IUPAC3-[(2R)-4-acetyl-1-[2-[(6-methyl-3-pyridinyl)oxy]pyridine-3-carbonyl]piperazin-2-yl]-N-methylbenzamide
SMILESCNC(=O)c1cccc([C@@H]2CN(C(C)=O)CCN2C(=O)c2cccnc2Oc2ccc(C)nc2)c1
InChIInChI=1S/C26H27N5O4/c1-17-9-10-21(15-29-17)35-25-22(8-5-11-28-25)26(34)31-13-12-30(18(2)32)16-23(31)19-6-4-7-20(14-19)24(33)27-3/h4-11,14-15,23H,12-13,16H2,1-3H3,(H,27,33)/t23-/m0/s1
InChIKeyVLMLGGUQXJLZGG-QHCPKHFHSA-N
MW473.53 g/mol
LogP2.98
Rot. Bonds5

About 3-[(2R)-4-acetyl-1-[2-[(6-methyl-3-pyridinyl)oxy]pyridine-3-carbonyl]piperazin-2-yl]-N-methylbenzamide

3-[(2R)-4-acetyl-1-[2-[(6-methyl-3-pyridinyl)oxy]pyridine-3-carbonyl]piperazin-2-yl]-N-methylbenzamide (PubChem CID 125010756) has the molecular formula C26H27N5O4 and a molecular weight of 473.53 g/mol. Its IUPAC name is 3-[(2R)-4-acetyl-1-[2-[(6-methyl-3-pyridinyl)oxy]pyridine-3-carbonyl]piperazin-2-yl]-N-methylbenzamide.

Molecular Properties

Compound Name3-[(2R)-4-acetyl-1-[2-[(6-methyl-3-pyridinyl)oxy]pyridine-3-carbonyl]piperazin-2-yl]-N-methylbenzamide
PubChem CID125010756
Molecular FormulaC26H27N5O4
Molecular Weight473.53 g/mol
Exact Mass473.21
IUPAC Name3-[(2R)-4-acetyl-1-[2-[(6-methyl-3-pyridinyl)oxy]pyridine-3-carbonyl]piperazin-2-yl]-N-methylbenzamide
SMILESCNC(=O)c1cccc([C@@H]2CN(C(C)=O)CCN2C(=O)c2cccnc2Oc2ccc(C)nc2)c1
InChIInChI=1S/C26H27N5O4/c1-17-9-10-21(15-29-17)35-25-22(8-5-11-28-25)26(34)31-13-12-30(18(2)32)16-23(31)19-6-4-7-20(14-19)24(33)27-3/h4-11,14-15,23H,12-13,16H2,1-3H3,(H,27,33)/t23-/m0/s1
InChIKeyVLMLGGUQXJLZGG-QHCPKHFHSA-N
XLogP2.98
TPSA104.73 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.53
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-[(2R)-4-acetyl-1-[2-[(6-methyl-3-pyridinyl)oxy]pyridine-3-carbonyl]piperazin-2-yl]-N-methylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[4-acetyl-1-[2-[(6-methyl-3-pyridinyl)oxy]pyridine-3-carbonyl]piperazin-2-yl]-N-methylbenzamide
CID 110151897
N-methyl-3-[1-methyl-4-[2-[(6-methyl-3-pyridinyl)oxy]pyridine-3-carbonyl]piperazin-2-yl]benzamide
CID 110151321
3-[(2R)-4-acetyl-1-(cyclobutanecarbonyl)piperazin-2-yl]-N-methylbenzamide
CID 124961666
3-[(2R)-4-acetyl-1-(2,2-diphenylacetyl)piperazin-2-yl]-N-methylbenzamide
CID 129454780
3-[4-[2-(3-methoxyanilino)pyridine-3-carbonyl]-1-methylpiperazin-2-yl]-N-methylbenzamide
CID 110150714
N-methyl-3-[(2R)-1-methyl-4-(pyridine-2-carbonyl)piperazin-2-yl]benzamide
CID 124942684
3-[(2R)-4-acetyl-1-(1H-imidazol-5-ylmethyl)piperazin-2-yl]-N-methylbenzamide
CID 124976849
3-[(2S)-1-acetyl-4-[1-(4-methoxyphenyl)cyclopentanecarbonyl]piperazin-2-yl]-N-methylbenzamide
CID 129458672
tert-butyl 3-[3-(methylcarbamoyl)phenyl]-4-(4-methylthiophene-2-carbonyl)piperazine-1-carboxylate
CID 110090530
1-[(3S)-3-phenyl-4-(pyrazolo[1,5-a]pyrimidine-3-carbonyl)piperazin-1-yl]ethanone
CID 124982773
tert-butyl (3R)-3-[3-(methylcarbamoyl)phenyl]-4-(thiophene-3-carbonyl)piperazine-1-carboxylate
CID 124989383
3-[(2R)-4-formyl-1-(4-methyl-1,3-thiazole-5-carbonyl)piperazin-2-yl]-N-methylbenzamide
CID 125010117

Frequently Asked Questions

What is the IUPAC name of 3-[(2R)-4-acetyl-1-[2-[(6-methyl-3-pyridinyl)oxy]pyridine-3-carbonyl]piperazin-2-yl]-N-methylbenzamide?
The IUPAC name of 3-[(2R)-4-acetyl-1-[2-[(6-methyl-3-pyridinyl)oxy]pyridine-3-carbonyl]piperazin-2-yl]-N-methylbenzamide (CID 125010756) is 3-[(2R)-4-acetyl-1-[2-[(6-methyl-3-pyridinyl)oxy]pyridine-3-carbonyl]piperazin-2-yl]-N-methylbenzamide.
What is the SMILES notation for 3-[(2R)-4-acetyl-1-[2-[(6-methyl-3-pyridinyl)oxy]pyridine-3-carbonyl]piperazin-2-yl]-N-methylbenzamide?
The canonical SMILES for 3-[(2R)-4-acetyl-1-[2-[(6-methyl-3-pyridinyl)oxy]pyridine-3-carbonyl]piperazin-2-yl]-N-methylbenzamide is CNC(=O)c1cccc([C@@H]2CN(C(C)=O)CCN2C(=O)c2cccnc2Oc2ccc(C)nc2)c1.
What is the InChIKey of 3-[(2R)-4-acetyl-1-[2-[(6-methyl-3-pyridinyl)oxy]pyridine-3-carbonyl]piperazin-2-yl]-N-methylbenzamide?
The InChIKey is VLMLGGUQXJLZGG-QHCPKHFHSA-N. The full InChI is InChI=1S/C26H27N5O4/c1-17-9-10-21(15-29-17)35-25-22(8-5-11-28-25)26(34)31-13-12-30(18(2)32)16-23(31)19-6-4-7-20(14-19)24(33)27-3/h4-11,14-15,23H,12-13,16H2,1-3H3,(H,27,33)/t23-/m0/s1.
What are the key properties of 3-[(2R)-4-acetyl-1-[2-[(6-methyl-3-pyridinyl)oxy]pyridine-3-carbonyl]piperazin-2-yl]-N-methylbenzamide?
3-[(2R)-4-acetyl-1-[2-[(6-methyl-3-pyridinyl)oxy]pyridine-3-carbonyl]piperazin-2-yl]-N-methylbenzamide has a molecular weight of 473.53 g/mol, XLogP of 2.98, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2R)-4-acetyl-1-[2-[(6-methyl-3-pyridinyl)oxy]pyridine-3-carbonyl]piperazin-2-yl]-N-methylbenzamide is sourced from PubChem (CID 125010756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).