N'-[2-(4-methylpiperazin-1-yl)phenyl]-N-[(3-pyridin-2-ylphenyl)methyl]oxamide

C25H27N5O2 — CID 166231717

IUPACN'-[2-(4-methylpiperazin-1-yl)phenyl]-N-[(3-pyridin-2-ylphenyl)methyl]oxamide
SMILESCN1CCN(c2ccccc2NC(=O)C(=O)NCc2cccc(-c3ccccn3)c2)CC1
InChIInChI=1S/C25H27N5O2/c1-29-13-15-30(16-14-29)23-11-3-2-10-22(23)28-25(32)24(31)27-18-19-7-6-8-20(17-19)21-9-4-5-12-26-21/h2-12,17H,13-16,18H2,1H3,(H,27,31)(H,28,32)
InChIKeySOMLJCQPVYINSZ-UHFFFAOYSA-N
MW429.52 g/mol
LogP2.76
Rot. Bonds5

About N'-[2-(4-methylpiperazin-1-yl)phenyl]-N-[(3-pyridin-2-ylphenyl)methyl]oxamide

N'-[2-(4-methylpiperazin-1-yl)phenyl]-N-[(3-pyridin-2-ylphenyl)methyl]oxamide (PubChem CID 166231717) has the molecular formula C25H27N5O2 and a molecular weight of 429.52 g/mol. Its IUPAC name is N'-[2-(4-methylpiperazin-1-yl)phenyl]-N-[(3-pyridin-2-ylphenyl)methyl]oxamide.

Molecular Properties

Compound NameN'-[2-(4-methylpiperazin-1-yl)phenyl]-N-[(3-pyridin-2-ylphenyl)methyl]oxamide
PubChem CID166231717
Molecular FormulaC25H27N5O2
Molecular Weight429.52 g/mol
Exact Mass429.22
IUPAC NameN'-[2-(4-methylpiperazin-1-yl)phenyl]-N-[(3-pyridin-2-ylphenyl)methyl]oxamide
SMILESCN1CCN(c2ccccc2NC(=O)C(=O)NCc2cccc(-c3ccccn3)c2)CC1
InChIInChI=1S/C25H27N5O2/c1-29-13-15-30(16-14-29)23-11-3-2-10-22(23)28-25(32)24(31)27-18-19-7-6-8-20(17-19)21-9-4-5-12-26-21/h2-12,17H,13-16,18H2,1H3,(H,27,31)(H,28,32)
InChIKeySOMLJCQPVYINSZ-UHFFFAOYSA-N
XLogP2.76
TPSA77.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.52
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N-[(3-pyridin-2-ylphenyl)methyl]-N'-pyrimidin-5-yloxamide
CID 155949161
3-[(dimethylamino)methyl]-N-[2-(4-methylpiperazin-1-yl)phenyl]benzamide
CID 57327086
N-[[3-[3-[4-(4-methylpiperazin-1-yl)-2-pyridinyl]-1,2,4-oxadiazol-5-yl]phenyl]methyl]acetamide
CID 154758351
N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]-N'-(3-pyridin-2-yl-1,2-thiazol-5-yl)oxamide
CID 167830583
3-N,3-N-dimethyl-1-N-[2-(4-methylpiperazin-1-yl)phenyl]benzene-1,3-dicarboxamide
CID 57327062
3-(4-carbamoyl-1-methylpyrazol-3-yl)-N-[(3-pyridin-2-ylphenyl)methyl]piperidine-1-carboxamide
CID 128968811
N-(1,3-benzodioxol-5-ylmethyl)-N'-(2-morpholin-4-ylphenyl)oxamide
CID 108508569
2-ethoxy-N-[2-(4-methylpiperazin-1-yl)phenyl]pyridine-3-carboxamide
CID 18189885
(3R)-3-cyclopropyl-N-[(3-pyridin-2-ylphenyl)methyl]morpholine-4-carboxamide
CID 124514244
N-[[3-(1-methylpyrazol-4-yl)phenyl]methyl]-N'-(4-methyl-3-pyridinyl)oxamide
CID 75394480
N-[2-(4-methylpiperazin-1-yl)phenyl]-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide
CID 55874219
(2R)-1-methyl-4-[(3-pyridin-2-ylphenyl)methyl]piperazine-2-carboxylic acid
CID 95189473

Frequently Asked Questions

What is the IUPAC name of N'-[2-(4-methylpiperazin-1-yl)phenyl]-N-[(3-pyridin-2-ylphenyl)methyl]oxamide?
The IUPAC name of N'-[2-(4-methylpiperazin-1-yl)phenyl]-N-[(3-pyridin-2-ylphenyl)methyl]oxamide (CID 166231717) is N'-[2-(4-methylpiperazin-1-yl)phenyl]-N-[(3-pyridin-2-ylphenyl)methyl]oxamide.
What is the SMILES notation for N'-[2-(4-methylpiperazin-1-yl)phenyl]-N-[(3-pyridin-2-ylphenyl)methyl]oxamide?
The canonical SMILES for N'-[2-(4-methylpiperazin-1-yl)phenyl]-N-[(3-pyridin-2-ylphenyl)methyl]oxamide is CN1CCN(c2ccccc2NC(=O)C(=O)NCc2cccc(-c3ccccn3)c2)CC1.
What is the InChIKey of N'-[2-(4-methylpiperazin-1-yl)phenyl]-N-[(3-pyridin-2-ylphenyl)methyl]oxamide?
The InChIKey is SOMLJCQPVYINSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N5O2/c1-29-13-15-30(16-14-29)23-11-3-2-10-22(23)28-25(32)24(31)27-18-19-7-6-8-20(17-19)21-9-4-5-12-26-21/h2-12,17H,13-16,18H2,1H3,(H,27,31)(H,28,32).
What are the key properties of N'-[2-(4-methylpiperazin-1-yl)phenyl]-N-[(3-pyridin-2-ylphenyl)methyl]oxamide?
N'-[2-(4-methylpiperazin-1-yl)phenyl]-N-[(3-pyridin-2-ylphenyl)methyl]oxamide has a molecular weight of 429.52 g/mol, XLogP of 2.76, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(4-methylpiperazin-1-yl)phenyl]-N-[(3-pyridin-2-ylphenyl)methyl]oxamide is sourced from PubChem (CID 166231717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).