N'-[(3R)-5-chloro-1-ethyl-2-oxo-3H-indol-3-yl]-N-(pyridin-3-ylmethyl)oxamide

C18H17ClN4O3 — CID 41010203

IUPACN'-[(3R)-5-chloro-1-ethyl-2-oxo-3H-indol-3-yl]-N-(pyridin-3-ylmethyl)oxamide
SMILESCCN1C(=O)[C@H](NC(=O)C(=O)NCc2cccnc2)c2cc(Cl)ccc21
InChIInChI=1S/C18H17ClN4O3/c1-2-23-14-6-5-12(19)8-13(14)15(18(23)26)22-17(25)16(24)21-10-11-4-3-7-20-9-11/h3-9,15H,2,10H2,1H3,(H,21,24)(H,22,25)/t15-/m1/s1
InChIKeySPEAIZNFKXZSAE-OAHLLOKOSA-N
MW372.81 g/mol
LogP1.58
Rot. Bonds4

About N'-[(3R)-5-chloro-1-ethyl-2-oxo-3H-indol-3-yl]-N-(pyridin-3-ylmethyl)oxamide

N'-[(3R)-5-chloro-1-ethyl-2-oxo-3H-indol-3-yl]-N-(pyridin-3-ylmethyl)oxamide (PubChem CID 41010203) has the molecular formula C18H17ClN4O3 and a molecular weight of 372.81 g/mol. Its IUPAC name is N'-[(3R)-5-chloro-1-ethyl-2-oxo-3H-indol-3-yl]-N-(pyridin-3-ylmethyl)oxamide.

Molecular Properties

Compound NameN'-[(3R)-5-chloro-1-ethyl-2-oxo-3H-indol-3-yl]-N-(pyridin-3-ylmethyl)oxamide
PubChem CID41010203
Molecular FormulaC18H17ClN4O3
Molecular Weight372.81 g/mol
Exact Mass372.10
IUPAC NameN'-[(3R)-5-chloro-1-ethyl-2-oxo-3H-indol-3-yl]-N-(pyridin-3-ylmethyl)oxamide
SMILESCCN1C(=O)[C@H](NC(=O)C(=O)NCc2cccnc2)c2cc(Cl)ccc21
InChIInChI=1S/C18H17ClN4O3/c1-2-23-14-6-5-12(19)8-13(14)15(18(23)26)22-17(25)16(24)21-10-11-4-3-7-20-9-11/h3-9,15H,2,10H2,1H3,(H,21,24)(H,22,25)/t15-/m1/s1
InChIKeySPEAIZNFKXZSAE-OAHLLOKOSA-N
XLogP1.58
TPSA91.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.81
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N'-[(3R)-5-chloro-1-ethyl-2-oxo-3H-indol-3-yl]-N-(pyridin-3-ylmethyl)oxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N'-[(3S)-1-ethyl-2-oxo-3H-indol-3-yl]-N-(pyridin-4-ylmethyl)oxamide
CID 98213664
N'-[(3R)-5-methyl-2-oxo-1-propan-2-yl-3H-indol-3-yl]-N-(pyridin-3-ylmethyl)oxamide
CID 40921741
N'-(2,4-dichlorophenyl)-N-(pyridin-3-ylmethyl)oxamide
CID 2818710
N'-(4-chlorophenyl)-N-(pyridin-3-ylmethyl)oxamide
CID 2244301
N'-[(3-methylphenyl)methyl]-N-(pyridin-3-ylmethyl)oxamide
CID 108984681
N-butyl-N'-(pyridin-3-ylmethyl)oxamide
CID 21212895
1-(4-chloro-2-fluorophenyl)-3-(pyridin-3-ylmethyl)urea
CID 47125736
N'-[(2-chlorophenyl)methyl]-N-(pyridin-3-ylmethyl)oxamide
CID 44998655
N-(2-acetamidoethyl)-N'-(pyridin-3-ylmethyl)oxamide
CID 108506762
N'-[(1R,2R)-2-methylcyclohexyl]-N-(pyridin-3-ylmethyl)oxamide
CID 124605662
2-(5-chloro-1H-indol-3-yl)-2-oxo-N-(pyridin-3-ylmethyl)acetamide
CID 113208230
N-(2-hydroxyethyl)-N'-(pyridin-3-ylmethyl)oxamide
CID 3136535

Frequently Asked Questions

What is the IUPAC name of N'-[(3R)-5-chloro-1-ethyl-2-oxo-3H-indol-3-yl]-N-(pyridin-3-ylmethyl)oxamide?
The IUPAC name of N'-[(3R)-5-chloro-1-ethyl-2-oxo-3H-indol-3-yl]-N-(pyridin-3-ylmethyl)oxamide (CID 41010203) is N'-[(3R)-5-chloro-1-ethyl-2-oxo-3H-indol-3-yl]-N-(pyridin-3-ylmethyl)oxamide.
What is the SMILES notation for N'-[(3R)-5-chloro-1-ethyl-2-oxo-3H-indol-3-yl]-N-(pyridin-3-ylmethyl)oxamide?
The canonical SMILES for N'-[(3R)-5-chloro-1-ethyl-2-oxo-3H-indol-3-yl]-N-(pyridin-3-ylmethyl)oxamide is CCN1C(=O)[C@H](NC(=O)C(=O)NCc2cccnc2)c2cc(Cl)ccc21.
What is the InChIKey of N'-[(3R)-5-chloro-1-ethyl-2-oxo-3H-indol-3-yl]-N-(pyridin-3-ylmethyl)oxamide?
The InChIKey is SPEAIZNFKXZSAE-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H17ClN4O3/c1-2-23-14-6-5-12(19)8-13(14)15(18(23)26)22-17(25)16(24)21-10-11-4-3-7-20-9-11/h3-9,15H,2,10H2,1H3,(H,21,24)(H,22,25)/t15-/m1/s1.
What are the key properties of N'-[(3R)-5-chloro-1-ethyl-2-oxo-3H-indol-3-yl]-N-(pyridin-3-ylmethyl)oxamide?
N'-[(3R)-5-chloro-1-ethyl-2-oxo-3H-indol-3-yl]-N-(pyridin-3-ylmethyl)oxamide has a molecular weight of 372.81 g/mol, XLogP of 1.58, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(3R)-5-chloro-1-ethyl-2-oxo-3H-indol-3-yl]-N-(pyridin-3-ylmethyl)oxamide is sourced from PubChem (CID 41010203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).