N'-(5-methyl-3-pyridinyl)-N-[2-(2-oxo-1,3-dihydroindol-3-yl)ethyl]oxamide

C18H18N4O3 — CID 167864550

IUPACN'-(5-methyl-3-pyridinyl)-N-[2-(2-oxo-1,3-dihydroindol-3-yl)ethyl]oxamide
SMILESCc1cncc(NC(=O)C(=O)NCCC2C(=O)Nc3ccccc32)c1
InChIInChI=1S/C18H18N4O3/c1-11-8-12(10-19-9-11)21-18(25)17(24)20-7-6-14-13-4-2-3-5-15(13)22-16(14)23/h2-5,8-10,14H,6-7H2,1H3,(H,20,24)(H,21,25)(H,22,23)
InChIKeyIIOYOUJYKHPUFS-UHFFFAOYSA-N
MW338.37 g/mol
LogP1.57
Rot. Bonds4

About N'-(5-methyl-3-pyridinyl)-N-[2-(2-oxo-1,3-dihydroindol-3-yl)ethyl]oxamide

N'-(5-methyl-3-pyridinyl)-N-[2-(2-oxo-1,3-dihydroindol-3-yl)ethyl]oxamide (PubChem CID 167864550) has the molecular formula C18H18N4O3 and a molecular weight of 338.37 g/mol. Its IUPAC name is N'-(5-methyl-3-pyridinyl)-N-[2-(2-oxo-1,3-dihydroindol-3-yl)ethyl]oxamide.

Molecular Properties

Compound NameN'-(5-methyl-3-pyridinyl)-N-[2-(2-oxo-1,3-dihydroindol-3-yl)ethyl]oxamide
PubChem CID167864550
Molecular FormulaC18H18N4O3
Molecular Weight338.37 g/mol
Exact Mass338.14
IUPAC NameN'-(5-methyl-3-pyridinyl)-N-[2-(2-oxo-1,3-dihydroindol-3-yl)ethyl]oxamide
SMILESCc1cncc(NC(=O)C(=O)NCCC2C(=O)Nc3ccccc32)c1
InChIInChI=1S/C18H18N4O3/c1-11-8-12(10-19-9-11)21-18(25)17(24)20-7-6-14-13-4-2-3-5-15(13)22-16(14)23/h2-5,8-10,14H,6-7H2,1H3,(H,20,24)(H,21,25)(H,22,23)
InChIKeyIIOYOUJYKHPUFS-UHFFFAOYSA-N
XLogP1.57
TPSA100.19 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.37
LogP ≤ 51.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[2-[(3S)-2-oxo-1,3-dihydroindol-3-yl]ethyl]-3-phenylurea
CID 31771075
1-(4-chlorophenyl)-3-[2-(2-oxo-1,3-dihydroindol-3-yl)ethyl]urea
CID 110748774
3,5-dimethoxy-N-[2-(2-oxo-1,3-dihydroindol-3-yl)ethyl]benzamide
CID 110730193
6-methyl-2-oxo-N-[2-[(3S)-2-oxo-1,3-dihydroindol-3-yl]ethyl]-1H-pyridine-3-carboxamide
CID 95150703
N-[2-(2-oxo-1,3-dihydroindol-3-yl)ethyl]cyclohexanecarboxamide
CID 110730173
4-chloro-N-[2-(2-oxo-1,3-dihydroindol-3-yl)ethyl]benzamide
CID 110730209
2-methoxy-N-[2-(2-oxo-1,3-dihydroindol-3-yl)ethyl]benzamide
CID 110730190
N-[2-(2-oxo-1,3-dihydroindol-3-yl)ethyl]-2-phenoxyacetamide
CID 110730204
N-[2-(2-oxo-1,3-dihydroindol-3-yl)ethyl]-2-thiophen-2-ylacetamide
CID 110730198
1-(2-chloro-5-fluorophenyl)-3-[2-[(3S)-2-oxo-1,3-dihydroindol-3-yl]ethyl]urea
CID 98139825
1-(2-chloro-5-fluorophenyl)-3-[2-[(3R)-2-oxo-1,3-dihydroindol-3-yl]ethyl]urea
CID 95568579
methyl 3-(2-oxo-1,3-dihydroindol-3-yl)propanoate
CID 14903583

Frequently Asked Questions

What is the IUPAC name of N'-(5-methyl-3-pyridinyl)-N-[2-(2-oxo-1,3-dihydroindol-3-yl)ethyl]oxamide?
The IUPAC name of N'-(5-methyl-3-pyridinyl)-N-[2-(2-oxo-1,3-dihydroindol-3-yl)ethyl]oxamide (CID 167864550) is N'-(5-methyl-3-pyridinyl)-N-[2-(2-oxo-1,3-dihydroindol-3-yl)ethyl]oxamide.
What is the SMILES notation for N'-(5-methyl-3-pyridinyl)-N-[2-(2-oxo-1,3-dihydroindol-3-yl)ethyl]oxamide?
The canonical SMILES for N'-(5-methyl-3-pyridinyl)-N-[2-(2-oxo-1,3-dihydroindol-3-yl)ethyl]oxamide is Cc1cncc(NC(=O)C(=O)NCCC2C(=O)Nc3ccccc32)c1.
What is the InChIKey of N'-(5-methyl-3-pyridinyl)-N-[2-(2-oxo-1,3-dihydroindol-3-yl)ethyl]oxamide?
The InChIKey is IIOYOUJYKHPUFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O3/c1-11-8-12(10-19-9-11)21-18(25)17(24)20-7-6-14-13-4-2-3-5-15(13)22-16(14)23/h2-5,8-10,14H,6-7H2,1H3,(H,20,24)(H,21,25)(H,22,23).
What are the key properties of N'-(5-methyl-3-pyridinyl)-N-[2-(2-oxo-1,3-dihydroindol-3-yl)ethyl]oxamide?
N'-(5-methyl-3-pyridinyl)-N-[2-(2-oxo-1,3-dihydroindol-3-yl)ethyl]oxamide has a molecular weight of 338.37 g/mol, XLogP of 1.57, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(5-methyl-3-pyridinyl)-N-[2-(2-oxo-1,3-dihydroindol-3-yl)ethyl]oxamide is sourced from PubChem (CID 167864550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).