N'-(5-chloro-2-pyridinyl)-N-[3-(dimethylamino)-3-oxo-2-[(4-pyridin-3-ylbenzoyl)amino]propyl]oxamide

C24H23ClN6O4 — CID 58893800

IUPACN'-(5-chloro-2-pyridinyl)-N-[3-(dimethylamino)-3-oxo-2-[(4-pyridin-3-ylbenzoyl)amino]propyl]oxamide
SMILESCN(C)C(=O)C(CNC(=O)C(=O)Nc1ccc(Cl)cn1)NC(=O)c1ccc(-c2cccnc2)cc1
InChIInChI=1S/C24H23ClN6O4/c1-31(2)24(35)19(14-28-22(33)23(34)30-20-10-9-18(25)13-27-20)29-21(32)16-7-5-15(6-8-16)17-4-3-11-26-12-17/h3-13,19H,14H2,1-2H3,(H,28,33)(H,29,32)(H,27,30,34)
InChIKeyPSWSIDKRNYOKEG-UHFFFAOYSA-N
MW494.94 g/mol
LogP1.74
Rot. Bonds7

About N'-(5-chloro-2-pyridinyl)-N-[3-(dimethylamino)-3-oxo-2-[(4-pyridin-3-ylbenzoyl)amino]propyl]oxamide

N'-(5-chloro-2-pyridinyl)-N-[3-(dimethylamino)-3-oxo-2-[(4-pyridin-3-ylbenzoyl)amino]propyl]oxamide (PubChem CID 58893800) has the molecular formula C24H23ClN6O4 and a molecular weight of 494.94 g/mol. Its IUPAC name is N'-(5-chloro-2-pyridinyl)-N-[3-(dimethylamino)-3-oxo-2-[(4-pyridin-3-ylbenzoyl)amino]propyl]oxamide.

Molecular Properties

Compound NameN'-(5-chloro-2-pyridinyl)-N-[3-(dimethylamino)-3-oxo-2-[(4-pyridin-3-ylbenzoyl)amino]propyl]oxamide
PubChem CID58893800
Molecular FormulaC24H23ClN6O4
Molecular Weight494.94 g/mol
Exact Mass494.15
IUPAC NameN'-(5-chloro-2-pyridinyl)-N-[3-(dimethylamino)-3-oxo-2-[(4-pyridin-3-ylbenzoyl)amino]propyl]oxamide
SMILESCN(C)C(=O)C(CNC(=O)C(=O)Nc1ccc(Cl)cn1)NC(=O)c1ccc(-c2cccnc2)cc1
InChIInChI=1S/C24H23ClN6O4/c1-31(2)24(35)19(14-28-22(33)23(34)30-20-10-9-18(25)13-27-20)29-21(32)16-7-5-15(6-8-16)17-4-3-11-26-12-17/h3-13,19H,14H2,1-2H3,(H,28,33)(H,29,32)(H,27,30,34)
InChIKeyPSWSIDKRNYOKEG-UHFFFAOYSA-N
XLogP1.74
TPSA133.39 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.94
LogP ≤ 51.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N'-(5-chloro-2-pyridinyl)-N-[3-(dimethylamino)-3-oxo-2-[(4-pyridin-3-ylbenzoyl)amino]propyl]oxamide with MolForge

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Related Compounds

N-[2-[[4-(2-aminopyrimidin-5-yl)benzoyl]amino]-3-(dimethylamino)-3-oxopropyl]-N'-(5-chloro-2-pyridinyl)oxamide
CID 58893671
N'-(5-chloro-2-pyridinyl)-N-[3-(dimethylamino)-2-[[4-(1-oxidopyridin-1-ium-4-yl)benzoyl]amino]-3-oxopropyl]oxamide
CID 58893832
N'-(5-chloro-2-pyridinyl)-N-[3-(dimethylamino)-3-oxo-2-[(5-pyridin-4-yl-1,3-thiazole-2-carbonyl)amino]propyl]oxamide
CID 58893867
N'-(5-chloro-2-pyridinyl)-N-[3-(dimethylamino)-3-oxo-2-(thieno[3,2-b]pyridine-2-carbonylamino)propyl]oxamide
CID 58893847
tert-butyl N-[(2S)-3-(dimethylamino)-3-oxo-2-[(4-pyridin-4-ylbenzoyl)amino]propyl]carbamate
CID 58893971
N'-(5-chloro-2-pyridinyl)-N-[3-[methoxy(methyl)amino]-2-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]-3-oxopropyl]oxamide
CID 10346231
4-chloro-N-[1-[(5-chloro-2-pyridinyl)amino]-3-methyl-1-oxobutan-2-yl]benzamide
CID 43019519
N-(2-chloro-3-pyridinyl)-4-pyridin-3-ylbenzamide
CID 59673856
1-ethyl-3-(5-pyridin-3-yl-2-pyridinyl)urea
CID 72712074
N-(5-chloro-2-pyridinyl)-4-(propanoylamino)benzamide
CID 2988082
[(2S)-3-[[2-[(5-chloro-2-pyridinyl)amino]-2-oxoacetyl]amino]-1-(dimethylamino)-2-methyl-1-oxopropan-2-yl]carbamic acid
CID 69481837
N-(5-chloro-2-pyridinyl)-4-methyl-3-(4-phenylphenyl)benzamide
CID 90885243

Frequently Asked Questions

What is the IUPAC name of N'-(5-chloro-2-pyridinyl)-N-[3-(dimethylamino)-3-oxo-2-[(4-pyridin-3-ylbenzoyl)amino]propyl]oxamide?
The IUPAC name of N'-(5-chloro-2-pyridinyl)-N-[3-(dimethylamino)-3-oxo-2-[(4-pyridin-3-ylbenzoyl)amino]propyl]oxamide (CID 58893800) is N'-(5-chloro-2-pyridinyl)-N-[3-(dimethylamino)-3-oxo-2-[(4-pyridin-3-ylbenzoyl)amino]propyl]oxamide.
What is the SMILES notation for N'-(5-chloro-2-pyridinyl)-N-[3-(dimethylamino)-3-oxo-2-[(4-pyridin-3-ylbenzoyl)amino]propyl]oxamide?
The canonical SMILES for N'-(5-chloro-2-pyridinyl)-N-[3-(dimethylamino)-3-oxo-2-[(4-pyridin-3-ylbenzoyl)amino]propyl]oxamide is CN(C)C(=O)C(CNC(=O)C(=O)Nc1ccc(Cl)cn1)NC(=O)c1ccc(-c2cccnc2)cc1.
What is the InChIKey of N'-(5-chloro-2-pyridinyl)-N-[3-(dimethylamino)-3-oxo-2-[(4-pyridin-3-ylbenzoyl)amino]propyl]oxamide?
The InChIKey is PSWSIDKRNYOKEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23ClN6O4/c1-31(2)24(35)19(14-28-22(33)23(34)30-20-10-9-18(25)13-27-20)29-21(32)16-7-5-15(6-8-16)17-4-3-11-26-12-17/h3-13,19H,14H2,1-2H3,(H,28,33)(H,29,32)(H,27,30,34).
What are the key properties of N'-(5-chloro-2-pyridinyl)-N-[3-(dimethylamino)-3-oxo-2-[(4-pyridin-3-ylbenzoyl)amino]propyl]oxamide?
N'-(5-chloro-2-pyridinyl)-N-[3-(dimethylamino)-3-oxo-2-[(4-pyridin-3-ylbenzoyl)amino]propyl]oxamide has a molecular weight of 494.94 g/mol, XLogP of 1.74, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(5-chloro-2-pyridinyl)-N-[3-(dimethylamino)-3-oxo-2-[(4-pyridin-3-ylbenzoyl)amino]propyl]oxamide is sourced from PubChem (CID 58893800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).