N'-(6-methoxy-3-pyridinyl)-N-[(2R)-2-(4-methylpiperazin-1-yl)-2-phenylethyl]oxamide

C21H27N5O3 — CID 51971264

IUPACN'-(6-methoxy-3-pyridinyl)-N-[(2R)-2-(4-methylpiperazin-1-yl)-2-phenylethyl]oxamide
SMILESCOc1ccc(NC(=O)C(=O)NC[C@@H](c2ccccc2)N2CCN(C)CC2)cn1
InChIInChI=1S/C21H27N5O3/c1-25-10-12-26(13-11-25)18(16-6-4-3-5-7-16)15-23-20(27)21(28)24-17-8-9-19(29-2)22-14-17/h3-9,14,18H,10-13,15H2,1-2H3,(H,23,27)(H,24,28)/t18-/m0/s1
InChIKeyVCCNKJWDGJETGG-SFHVURJKSA-N
MW397.48 g/mol
LogP1.13
Rot. Bonds6

About N'-(6-methoxy-3-pyridinyl)-N-[(2R)-2-(4-methylpiperazin-1-yl)-2-phenylethyl]oxamide

N'-(6-methoxy-3-pyridinyl)-N-[(2R)-2-(4-methylpiperazin-1-yl)-2-phenylethyl]oxamide (PubChem CID 51971264) has the molecular formula C21H27N5O3 and a molecular weight of 397.48 g/mol. Its IUPAC name is N'-(6-methoxy-3-pyridinyl)-N-[(2R)-2-(4-methylpiperazin-1-yl)-2-phenylethyl]oxamide.

Molecular Properties

Compound NameN'-(6-methoxy-3-pyridinyl)-N-[(2R)-2-(4-methylpiperazin-1-yl)-2-phenylethyl]oxamide
PubChem CID51971264
Molecular FormulaC21H27N5O3
Molecular Weight397.48 g/mol
Exact Mass397.21
IUPAC NameN'-(6-methoxy-3-pyridinyl)-N-[(2R)-2-(4-methylpiperazin-1-yl)-2-phenylethyl]oxamide
SMILESCOc1ccc(NC(=O)C(=O)NC[C@@H](c2ccccc2)N2CCN(C)CC2)cn1
InChIInChI=1S/C21H27N5O3/c1-25-10-12-26(13-11-25)18(16-6-4-3-5-7-16)15-23-20(27)21(28)24-17-8-9-19(29-2)22-14-17/h3-9,14,18H,10-13,15H2,1-2H3,(H,23,27)(H,24,28)/t18-/m0/s1
InChIKeyVCCNKJWDGJETGG-SFHVURJKSA-N
XLogP1.13
TPSA86.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.48
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N'-(4-methoxyphenyl)-N-[(2R)-2-(4-methoxyphenyl)-2-(4-methylpiperazin-1-yl)ethyl]oxamide
CID 8670123
N'-(3-hydroxyphenyl)-N-[(2R)-2-(4-methylpiperazin-1-yl)-2-phenylethyl]oxamide
CID 51974312
N'-(4-chlorophenyl)-N-[2-(4-methoxyphenyl)-2-(4-methylpiperazin-1-yl)ethyl]oxamide
CID 16830345
N'-(4-chlorophenyl)-N-[(2S)-2-(4-methoxyphenyl)-2-(4-methylpiperazin-1-yl)ethyl]oxamide
CID 30631458
N'-[6-(methylamino)-3-pyridinyl]-N-(2-morpholin-4-yl-2-phenylethyl)oxamide
CID 166237380
N-[(2S)-2-(4-fluorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]-N'-(3-methoxyphenyl)oxamide
CID 30632079
N-[2-[4-(dimethylamino)phenyl]-2-(4-methylpiperazin-1-yl)ethyl]-N'-phenyloxamide
CID 43996738
methyl 4-[[2-[[2-(4-methylphenyl)-2-(4-methylpiperazin-1-yl)ethyl]amino]-2-oxoacetyl]amino]benzoate
CID 16813627
N'-(3,4-dimethylphenyl)-N-[(2S)-2-(4-methoxyphenyl)-2-(4-methylpiperazin-1-yl)ethyl]oxamide
CID 30631544
N-[(2R)-2-(4-fluorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]-N'-(4-methylphenyl)oxamide
CID 30632006
N'-(4-acetamidophenyl)-N-[2-(4-methylphenyl)-2-(4-methylpiperazin-1-yl)ethyl]oxamide
CID 18578378
1-[2-(4-methoxyphenyl)-2-(4-methylpiperazin-1-yl)ethyl]-3-phenylurea
CID 16803372

Frequently Asked Questions

What is the IUPAC name of N'-(6-methoxy-3-pyridinyl)-N-[(2R)-2-(4-methylpiperazin-1-yl)-2-phenylethyl]oxamide?
The IUPAC name of N'-(6-methoxy-3-pyridinyl)-N-[(2R)-2-(4-methylpiperazin-1-yl)-2-phenylethyl]oxamide (CID 51971264) is N'-(6-methoxy-3-pyridinyl)-N-[(2R)-2-(4-methylpiperazin-1-yl)-2-phenylethyl]oxamide.
What is the SMILES notation for N'-(6-methoxy-3-pyridinyl)-N-[(2R)-2-(4-methylpiperazin-1-yl)-2-phenylethyl]oxamide?
The canonical SMILES for N'-(6-methoxy-3-pyridinyl)-N-[(2R)-2-(4-methylpiperazin-1-yl)-2-phenylethyl]oxamide is COc1ccc(NC(=O)C(=O)NC[C@@H](c2ccccc2)N2CCN(C)CC2)cn1.
What is the InChIKey of N'-(6-methoxy-3-pyridinyl)-N-[(2R)-2-(4-methylpiperazin-1-yl)-2-phenylethyl]oxamide?
The InChIKey is VCCNKJWDGJETGG-SFHVURJKSA-N. The full InChI is InChI=1S/C21H27N5O3/c1-25-10-12-26(13-11-25)18(16-6-4-3-5-7-16)15-23-20(27)21(28)24-17-8-9-19(29-2)22-14-17/h3-9,14,18H,10-13,15H2,1-2H3,(H,23,27)(H,24,28)/t18-/m0/s1.
What are the key properties of N'-(6-methoxy-3-pyridinyl)-N-[(2R)-2-(4-methylpiperazin-1-yl)-2-phenylethyl]oxamide?
N'-(6-methoxy-3-pyridinyl)-N-[(2R)-2-(4-methylpiperazin-1-yl)-2-phenylethyl]oxamide has a molecular weight of 397.48 g/mol, XLogP of 1.13, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(6-methoxy-3-pyridinyl)-N-[(2R)-2-(4-methylpiperazin-1-yl)-2-phenylethyl]oxamide is sourced from PubChem (CID 51971264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).