N'-[1-[(2,4-dichlorophenyl)methyl]cyclobutyl]-N-[2-(dimethylcarbamoyl)-4-pyridinyl]oxamide

C21H22Cl2N4O3 — CID 166332692

IUPACN'-[1-[(2,4-dichlorophenyl)methyl]cyclobutyl]-N-[2-(dimethylcarbamoyl)-4-pyridinyl]oxamide
SMILESCN(C)C(=O)c1cc(NC(=O)C(=O)NC2(Cc3ccc(Cl)cc3Cl)CCC2)ccn1
InChIInChI=1S/C21H22Cl2N4O3/c1-27(2)20(30)17-11-15(6-9-24-17)25-18(28)19(29)26-21(7-3-8-21)12-13-4-5-14(22)10-16(13)23/h4-6,9-11H,3,7-8,12H2,1-2H3,(H,26,29)(H,24,25,28)
InChIKeyMTQMWUCQQZZNMB-UHFFFAOYSA-N
MW449.34 g/mol
LogP3.31
Rot. Bonds5

About N'-[1-[(2,4-dichlorophenyl)methyl]cyclobutyl]-N-[2-(dimethylcarbamoyl)-4-pyridinyl]oxamide

N'-[1-[(2,4-dichlorophenyl)methyl]cyclobutyl]-N-[2-(dimethylcarbamoyl)-4-pyridinyl]oxamide (PubChem CID 166332692) has the molecular formula C21H22Cl2N4O3 and a molecular weight of 449.34 g/mol. Its IUPAC name is N'-[1-[(2,4-dichlorophenyl)methyl]cyclobutyl]-N-[2-(dimethylcarbamoyl)-4-pyridinyl]oxamide.

Molecular Properties

Compound NameN'-[1-[(2,4-dichlorophenyl)methyl]cyclobutyl]-N-[2-(dimethylcarbamoyl)-4-pyridinyl]oxamide
PubChem CID166332692
Molecular FormulaC21H22Cl2N4O3
Molecular Weight449.34 g/mol
Exact Mass448.11
IUPAC NameN'-[1-[(2,4-dichlorophenyl)methyl]cyclobutyl]-N-[2-(dimethylcarbamoyl)-4-pyridinyl]oxamide
SMILESCN(C)C(=O)c1cc(NC(=O)C(=O)NC2(Cc3ccc(Cl)cc3Cl)CCC2)ccn1
InChIInChI=1S/C21H22Cl2N4O3/c1-27(2)20(30)17-11-15(6-9-24-17)25-18(28)19(29)26-21(7-3-8-21)12-13-4-5-14(22)10-16(13)23/h4-6,9-11H,3,7-8,12H2,1-2H3,(H,26,29)(H,24,25,28)
InChIKeyMTQMWUCQQZZNMB-UHFFFAOYSA-N
XLogP3.31
TPSA91.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.34
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl 5-[[2-[[1-[(2,4-dichlorophenyl)methyl]cyclobutyl]amino]-2-oxoacetyl]amino]-2-methylpyridine-3-carboxylate
CID 166332606
methyl 3-[4-[[2-[[1-[(2,4-dichlorophenyl)methyl]cyclobutyl]amino]-2-oxoacetyl]amino]phenyl]propanoate
CID 167764169
2-[1-[[2-(dimethylcarbamoyl)-4-pyridinyl]amino]cyclobutyl]acetic acid
CID 79846030
N'-[1-[(2,4-dichlorophenyl)methyl]cyclobutyl]-N-pyrazolo[1,5-a]pyrimidin-3-yloxamide
CID 167870668
methyl 5-[[2-[[1-[(2,4-dichlorophenyl)methyl]cyclobutyl]amino]-2-oxoacetyl]amino]-1-methylpyrazole-4-carboxylate
CID 166332702
N'-[1-[(2,4-dichlorophenyl)methyl]cyclobutyl]-N-(1-methyl-3-phenylpyrazol-4-yl)oxamide
CID 166332599
methyl 6-[[1-[(2,4-dichlorophenyl)methyl]cyclobutyl]carbamoyl]-4-methoxypyridine-2-carboxylate
CID 166332647
N'-[1-[(2,4-dichlorophenyl)methyl]cyclobutyl]-N-[2-(1,1-dioxothiolan-3-yl)pyrazol-3-yl]oxamide
CID 167981612
N-[4-[[1-[(2,4-dichlorophenyl)methyl]cyclobutyl]amino]-4-oxobutyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 166332630
4-[(1-methoxycyclobutyl)methylamino]-N,N-dimethylpyridine-2-carboxamide
CID 103989633
3-[1-[(2,4-dichlorophenyl)methyl]cyclobutyl]-1-(1,1-dioxothiolan-3-yl)-1-methylurea
CID 166332697
2-(6-chloropyrazin-2-yl)oxy-N-[1-[(2,4-dichlorophenyl)methyl]cyclobutyl]acetamide
CID 166332649

Frequently Asked Questions

What is the IUPAC name of N'-[1-[(2,4-dichlorophenyl)methyl]cyclobutyl]-N-[2-(dimethylcarbamoyl)-4-pyridinyl]oxamide?
The IUPAC name of N'-[1-[(2,4-dichlorophenyl)methyl]cyclobutyl]-N-[2-(dimethylcarbamoyl)-4-pyridinyl]oxamide (CID 166332692) is N'-[1-[(2,4-dichlorophenyl)methyl]cyclobutyl]-N-[2-(dimethylcarbamoyl)-4-pyridinyl]oxamide.
What is the SMILES notation for N'-[1-[(2,4-dichlorophenyl)methyl]cyclobutyl]-N-[2-(dimethylcarbamoyl)-4-pyridinyl]oxamide?
The canonical SMILES for N'-[1-[(2,4-dichlorophenyl)methyl]cyclobutyl]-N-[2-(dimethylcarbamoyl)-4-pyridinyl]oxamide is CN(C)C(=O)c1cc(NC(=O)C(=O)NC2(Cc3ccc(Cl)cc3Cl)CCC2)ccn1.
What is the InChIKey of N'-[1-[(2,4-dichlorophenyl)methyl]cyclobutyl]-N-[2-(dimethylcarbamoyl)-4-pyridinyl]oxamide?
The InChIKey is MTQMWUCQQZZNMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22Cl2N4O3/c1-27(2)20(30)17-11-15(6-9-24-17)25-18(28)19(29)26-21(7-3-8-21)12-13-4-5-14(22)10-16(13)23/h4-6,9-11H,3,7-8,12H2,1-2H3,(H,26,29)(H,24,25,28).
What are the key properties of N'-[1-[(2,4-dichlorophenyl)methyl]cyclobutyl]-N-[2-(dimethylcarbamoyl)-4-pyridinyl]oxamide?
N'-[1-[(2,4-dichlorophenyl)methyl]cyclobutyl]-N-[2-(dimethylcarbamoyl)-4-pyridinyl]oxamide has a molecular weight of 449.34 g/mol, XLogP of 3.31, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[1-[(2,4-dichlorophenyl)methyl]cyclobutyl]-N-[2-(dimethylcarbamoyl)-4-pyridinyl]oxamide is sourced from PubChem (CID 166332692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).