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

C19H20N4O3 — CID 98209862

IUPACN'-[(3S)-2-oxo-1-propyl-3H-indol-3-yl]-N-(pyridin-2-ylmethyl)oxamide
SMILESCCCN1C(=O)[C@@H](NC(=O)C(=O)NCc2ccccn2)c2ccccc21
InChIInChI=1S/C19H20N4O3/c1-2-11-23-15-9-4-3-8-14(15)16(19(23)26)22-18(25)17(24)21-12-13-7-5-6-10-20-13/h3-10,16H,2,11-12H2,1H3,(H,21,24)(H,22,25)/t16-/m0/s1
InChIKeyYQZNDRWVTQUCPO-INIZCTEOSA-N
MW352.39 g/mol
LogP1.31
Rot. Bonds5

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

N'-[(3S)-2-oxo-1-propyl-3H-indol-3-yl]-N-(pyridin-2-ylmethyl)oxamide (PubChem CID 98209862) has the molecular formula C19H20N4O3 and a molecular weight of 352.39 g/mol. Its IUPAC name is N'-[(3S)-2-oxo-1-propyl-3H-indol-3-yl]-N-(pyridin-2-ylmethyl)oxamide.

Molecular Properties

Compound NameN'-[(3S)-2-oxo-1-propyl-3H-indol-3-yl]-N-(pyridin-2-ylmethyl)oxamide
PubChem CID98209862
Molecular FormulaC19H20N4O3
Molecular Weight352.39 g/mol
Exact Mass352.15
IUPAC NameN'-[(3S)-2-oxo-1-propyl-3H-indol-3-yl]-N-(pyridin-2-ylmethyl)oxamide
SMILESCCCN1C(=O)[C@@H](NC(=O)C(=O)NCc2ccccn2)c2ccccc21
InChIInChI=1S/C19H20N4O3/c1-2-11-23-15-9-4-3-8-14(15)16(19(23)26)22-18(25)17(24)21-12-13-7-5-6-10-20-13/h3-10,16H,2,11-12H2,1H3,(H,21,24)(H,22,25)/t16-/m0/s1
InChIKeyYQZNDRWVTQUCPO-INIZCTEOSA-N
XLogP1.31
TPSA91.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 51.31
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'-[(3S)-1-ethyl-2-oxo-3H-indol-3-yl]-N-(pyridin-4-ylmethyl)oxamide
CID 98213664
N'-cyclohexyl-N-(pyridin-2-ylmethyl)oxamide
CID 2844203
3-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-(pyridin-2-ylmethyl)propanamide
CID 17477968
N'-[(1S,2S)-2-methylcyclohexyl]-N-(pyridin-2-ylmethyl)oxamide
CID 124605707
N'-[(3S)-1-ethyl-2-oxo-3H-indol-3-yl]-N-(3-morpholin-4-ylpropyl)oxamide
CID 51608498
N-[(2-methoxyphenyl)methyl]-N'-[(3R)-1-methyl-2-oxo-3H-indol-3-yl]oxamide
CID 41008990
N-benzyl-N'-(pyridin-2-ylmethyl)oxamide
CID 3109924
1-propyl-3-(pyridin-2-ylmethylamino)pyrrolidine-2,5-dione
CID 43636248
2-methyl-N-(pyridin-2-ylmethyl)prop-2-enamide
CID 142012577
N',N'-diethyl-N-(pyridin-2-ylmethyl)oxamide
CID 108518344
N'-(2,6-diethylphenyl)-N-(pyridin-2-ylmethyl)oxamide
CID 108511400
2-(6-hydroxy-4-propyl-1,4-diazepan-1-yl)-N-(pyridin-2-ylmethyl)acetamide
CID 74242130

Frequently Asked Questions

What is the IUPAC name of N'-[(3S)-2-oxo-1-propyl-3H-indol-3-yl]-N-(pyridin-2-ylmethyl)oxamide?
The IUPAC name of N'-[(3S)-2-oxo-1-propyl-3H-indol-3-yl]-N-(pyridin-2-ylmethyl)oxamide (CID 98209862) is N'-[(3S)-2-oxo-1-propyl-3H-indol-3-yl]-N-(pyridin-2-ylmethyl)oxamide.
What is the SMILES notation for N'-[(3S)-2-oxo-1-propyl-3H-indol-3-yl]-N-(pyridin-2-ylmethyl)oxamide?
The canonical SMILES for N'-[(3S)-2-oxo-1-propyl-3H-indol-3-yl]-N-(pyridin-2-ylmethyl)oxamide is CCCN1C(=O)[C@@H](NC(=O)C(=O)NCc2ccccn2)c2ccccc21.
What is the InChIKey of N'-[(3S)-2-oxo-1-propyl-3H-indol-3-yl]-N-(pyridin-2-ylmethyl)oxamide?
The InChIKey is YQZNDRWVTQUCPO-INIZCTEOSA-N. The full InChI is InChI=1S/C19H20N4O3/c1-2-11-23-15-9-4-3-8-14(15)16(19(23)26)22-18(25)17(24)21-12-13-7-5-6-10-20-13/h3-10,16H,2,11-12H2,1H3,(H,21,24)(H,22,25)/t16-/m0/s1.
What are the key properties of N'-[(3S)-2-oxo-1-propyl-3H-indol-3-yl]-N-(pyridin-2-ylmethyl)oxamide?
N'-[(3S)-2-oxo-1-propyl-3H-indol-3-yl]-N-(pyridin-2-ylmethyl)oxamide has a molecular weight of 352.39 g/mol, XLogP of 1.31, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(3S)-2-oxo-1-propyl-3H-indol-3-yl]-N-(pyridin-2-ylmethyl)oxamide is sourced from PubChem (CID 98209862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).