N'-(5-chloro-2-pyridinyl)-N-[3-(dimethylamino)-3-oxo-2-(thieno[3,2-b]pyridine-2-carbonylamino)propyl]oxamide

C20H19ClN6O4S — CID 58893847

IUPACN'-(5-chloro-2-pyridinyl)-N-[3-(dimethylamino)-3-oxo-2-(thieno[3,2-b]pyridine-2-carbonylamino)propyl]oxamide
SMILESCN(C)C(=O)C(CNC(=O)C(=O)Nc1ccc(Cl)cn1)NC(=O)c1cc2ncccc2s1
InChIInChI=1S/C20H19ClN6O4S/c1-27(2)20(31)13(25-17(28)15-8-12-14(32-15)4-3-7-22-12)10-24-18(29)19(30)26-16-6-5-11(21)9-23-16/h3-9,13H,10H2,1-2H3,(H,24,29)(H,25,28)(H,23,26,30)
InChIKeyGIHQZQDYFGADQN-UHFFFAOYSA-N
MW474.93 g/mol
LogP1.29
Rot. Bonds6

About N'-(5-chloro-2-pyridinyl)-N-[3-(dimethylamino)-3-oxo-2-(thieno[3,2-b]pyridine-2-carbonylamino)propyl]oxamide

N'-(5-chloro-2-pyridinyl)-N-[3-(dimethylamino)-3-oxo-2-(thieno[3,2-b]pyridine-2-carbonylamino)propyl]oxamide (PubChem CID 58893847) has the molecular formula C20H19ClN6O4S and a molecular weight of 474.93 g/mol. Its IUPAC name is N'-(5-chloro-2-pyridinyl)-N-[3-(dimethylamino)-3-oxo-2-(thieno[3,2-b]pyridine-2-carbonylamino)propyl]oxamide.

Molecular Properties

Compound NameN'-(5-chloro-2-pyridinyl)-N-[3-(dimethylamino)-3-oxo-2-(thieno[3,2-b]pyridine-2-carbonylamino)propyl]oxamide
PubChem CID58893847
Molecular FormulaC20H19ClN6O4S
Molecular Weight474.93 g/mol
Exact Mass474.09
IUPAC NameN'-(5-chloro-2-pyridinyl)-N-[3-(dimethylamino)-3-oxo-2-(thieno[3,2-b]pyridine-2-carbonylamino)propyl]oxamide
SMILESCN(C)C(=O)C(CNC(=O)C(=O)Nc1ccc(Cl)cn1)NC(=O)c1cc2ncccc2s1
InChIInChI=1S/C20H19ClN6O4S/c1-27(2)20(31)13(25-17(28)15-8-12-14(32-15)4-3-7-22-12)10-24-18(29)19(30)26-16-6-5-11(21)9-23-16/h3-9,13H,10H2,1-2H3,(H,24,29)(H,25,28)(H,23,26,30)
InChIKeyGIHQZQDYFGADQN-UHFFFAOYSA-N
XLogP1.29
TPSA133.39 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.93
LogP ≤ 51.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

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-[(4-pyridin-3-ylbenzoyl)amino]propyl]oxamide
CID 58893800
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-[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
N-[3-anilino-2-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]-3-oxopropyl]-N'-(5-chloro-2-pyridinyl)oxamide
CID 10370097
tert-butyl N-[(2S)-1-[[2-[(5-chloro-2-pyridinyl)amino]-2-oxoacetyl]amino]-3-[(2-methylpropan-2-yl)oxy]propan-2-yl]carbamate
CID 140514569
N-[3-(tert-butylamino)-2-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]-3-oxopropyl]-N'-(5-chloro-2-pyridinyl)oxamide
CID 10256188
N'-(5-chloro-2-pyridinyl)-N-[2-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]-3-(4-methylpiperazin-1-yl)-3-oxopropyl]oxamide
CID 10392755
[(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)-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]-3-oxopropyl]oxamide
CID 58893758
N'-(5-chloro-2-pyridinyl)-N-[2-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]-3-oxo-3-(1,3-thiazol-2-ylamino)propyl]oxamide
CID 10437513

Frequently Asked Questions

What is the IUPAC name of N'-(5-chloro-2-pyridinyl)-N-[3-(dimethylamino)-3-oxo-2-(thieno[3,2-b]pyridine-2-carbonylamino)propyl]oxamide?
The IUPAC name of N'-(5-chloro-2-pyridinyl)-N-[3-(dimethylamino)-3-oxo-2-(thieno[3,2-b]pyridine-2-carbonylamino)propyl]oxamide (CID 58893847) is N'-(5-chloro-2-pyridinyl)-N-[3-(dimethylamino)-3-oxo-2-(thieno[3,2-b]pyridine-2-carbonylamino)propyl]oxamide.
What is the SMILES notation for N'-(5-chloro-2-pyridinyl)-N-[3-(dimethylamino)-3-oxo-2-(thieno[3,2-b]pyridine-2-carbonylamino)propyl]oxamide?
The canonical SMILES for N'-(5-chloro-2-pyridinyl)-N-[3-(dimethylamino)-3-oxo-2-(thieno[3,2-b]pyridine-2-carbonylamino)propyl]oxamide is CN(C)C(=O)C(CNC(=O)C(=O)Nc1ccc(Cl)cn1)NC(=O)c1cc2ncccc2s1.
What is the InChIKey of N'-(5-chloro-2-pyridinyl)-N-[3-(dimethylamino)-3-oxo-2-(thieno[3,2-b]pyridine-2-carbonylamino)propyl]oxamide?
The InChIKey is GIHQZQDYFGADQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN6O4S/c1-27(2)20(31)13(25-17(28)15-8-12-14(32-15)4-3-7-22-12)10-24-18(29)19(30)26-16-6-5-11(21)9-23-16/h3-9,13H,10H2,1-2H3,(H,24,29)(H,25,28)(H,23,26,30).
What are the key properties of N'-(5-chloro-2-pyridinyl)-N-[3-(dimethylamino)-3-oxo-2-(thieno[3,2-b]pyridine-2-carbonylamino)propyl]oxamide?
N'-(5-chloro-2-pyridinyl)-N-[3-(dimethylamino)-3-oxo-2-(thieno[3,2-b]pyridine-2-carbonylamino)propyl]oxamide has a molecular weight of 474.93 g/mol, XLogP of 1.29, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(5-chloro-2-pyridinyl)-N-[3-(dimethylamino)-3-oxo-2-(thieno[3,2-b]pyridine-2-carbonylamino)propyl]oxamide is sourced from PubChem (CID 58893847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).