N'-[(3S)-1-ethyl-2-oxo-3H-indol-3-yl]-N-(pyridin-4-ylmethyl)oxamide

C18H18N4O3 — CID 98213664

IUPACN'-[(3S)-1-ethyl-2-oxo-3H-indol-3-yl]-N-(pyridin-4-ylmethyl)oxamide
SMILESCCN1C(=O)[C@@H](NC(=O)C(=O)NCc2ccncc2)c2ccccc21
InChIInChI=1S/C18H18N4O3/c1-2-22-14-6-4-3-5-13(14)15(18(22)25)21-17(24)16(23)20-11-12-7-9-19-10-8-12/h3-10,15H,2,11H2,1H3,(H,20,23)(H,21,24)/t15-/m0/s1
InChIKeyCBZCMINPZPBOCR-HNNXBMFYSA-N
MW338.37 g/mol
LogP0.92
Rot. Bonds4

About N'-[(3S)-1-ethyl-2-oxo-3H-indol-3-yl]-N-(pyridin-4-ylmethyl)oxamide

N'-[(3S)-1-ethyl-2-oxo-3H-indol-3-yl]-N-(pyridin-4-ylmethyl)oxamide (PubChem CID 98213664) has the molecular formula C18H18N4O3 and a molecular weight of 338.37 g/mol. Its IUPAC name is N'-[(3S)-1-ethyl-2-oxo-3H-indol-3-yl]-N-(pyridin-4-ylmethyl)oxamide.

Molecular Properties

Compound NameN'-[(3S)-1-ethyl-2-oxo-3H-indol-3-yl]-N-(pyridin-4-ylmethyl)oxamide
PubChem CID98213664
Molecular FormulaC18H18N4O3
Molecular Weight338.37 g/mol
Exact Mass338.14
IUPAC NameN'-[(3S)-1-ethyl-2-oxo-3H-indol-3-yl]-N-(pyridin-4-ylmethyl)oxamide
SMILESCCN1C(=O)[C@@H](NC(=O)C(=O)NCc2ccncc2)c2ccccc21
InChIInChI=1S/C18H18N4O3/c1-2-22-14-6-4-3-5-13(14)15(18(22)25)21-17(24)16(23)20-11-12-7-9-19-10-8-12/h3-10,15H,2,11H2,1H3,(H,20,23)(H,21,24)/t15-/m0/s1
InChIKeyCBZCMINPZPBOCR-HNNXBMFYSA-N
XLogP0.92
TPSA91.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.37
LogP ≤ 50.92
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

N'-[(3R)-1-ethyl-2-oxo-3H-indol-3-yl]-N-(2-methoxyethyl)oxamide
CID 41024850
N-benzyl-N'-[(3R)-1-methyl-2-oxo-3H-indol-3-yl]oxamide
CID 40946997
N'-[(3R)-5-chloro-1-ethyl-2-oxo-3H-indol-3-yl]-N-(pyridin-3-ylmethyl)oxamide
CID 41010203
N-cyclopentyl-N'-[(3R)-1-ethyl-2-oxo-3H-indol-3-yl]oxamide
CID 41024763
N'-[(3S)-2-oxo-1-propyl-3H-indol-3-yl]-N-(pyridin-2-ylmethyl)oxamide
CID 98209862
N'-[(3S)-1-ethyl-2-oxo-3H-indol-3-yl]-N-(3-morpholin-4-ylpropyl)oxamide
CID 51608498
N-[(3S)-1-benzyl-2-oxo-3H-indol-3-yl]acetamide
CID 720059
N-[(3,4-dimethoxyphenyl)methyl]-N'-[(3R)-2-oxo-1-propan-2-yl-3H-indol-3-yl]oxamide
CID 41009071
(2-oxo-1-propyl-3H-indol-3-yl)urea
CID 150324372
N-[(2-methoxyphenyl)methyl]-N'-[(3R)-1-methyl-2-oxo-3H-indol-3-yl]oxamide
CID 41008990
(2-oxo-1-pentyl-3H-indol-3-yl)carbamic acid
CID 69107894
N-[(3S)-1-(3-bromopropyl)-2-oxo-3H-indol-3-yl]acetamide
CID 9178324

Frequently Asked Questions

What is the IUPAC name of N'-[(3S)-1-ethyl-2-oxo-3H-indol-3-yl]-N-(pyridin-4-ylmethyl)oxamide?
The IUPAC name of N'-[(3S)-1-ethyl-2-oxo-3H-indol-3-yl]-N-(pyridin-4-ylmethyl)oxamide (CID 98213664) is N'-[(3S)-1-ethyl-2-oxo-3H-indol-3-yl]-N-(pyridin-4-ylmethyl)oxamide.
What is the SMILES notation for N'-[(3S)-1-ethyl-2-oxo-3H-indol-3-yl]-N-(pyridin-4-ylmethyl)oxamide?
The canonical SMILES for N'-[(3S)-1-ethyl-2-oxo-3H-indol-3-yl]-N-(pyridin-4-ylmethyl)oxamide is CCN1C(=O)[C@@H](NC(=O)C(=O)NCc2ccncc2)c2ccccc21.
What is the InChIKey of N'-[(3S)-1-ethyl-2-oxo-3H-indol-3-yl]-N-(pyridin-4-ylmethyl)oxamide?
The InChIKey is CBZCMINPZPBOCR-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H18N4O3/c1-2-22-14-6-4-3-5-13(14)15(18(22)25)21-17(24)16(23)20-11-12-7-9-19-10-8-12/h3-10,15H,2,11H2,1H3,(H,20,23)(H,21,24)/t15-/m0/s1.
What are the key properties of N'-[(3S)-1-ethyl-2-oxo-3H-indol-3-yl]-N-(pyridin-4-ylmethyl)oxamide?
N'-[(3S)-1-ethyl-2-oxo-3H-indol-3-yl]-N-(pyridin-4-ylmethyl)oxamide has a molecular weight of 338.37 g/mol, XLogP of 0.92, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(3S)-1-ethyl-2-oxo-3H-indol-3-yl]-N-(pyridin-4-ylmethyl)oxamide is sourced from PubChem (CID 98213664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).