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

C20H22N4O3 — CID 40921741

IUPACN'-[(3R)-5-methyl-2-oxo-1-propan-2-yl-3H-indol-3-yl]-N-(pyridin-3-ylmethyl)oxamide
SMILESCc1ccc2c(c1)[C@@H](NC(=O)C(=O)NCc1cccnc1)C(=O)N2C(C)C
InChIInChI=1S/C20H22N4O3/c1-12(2)24-16-7-6-13(3)9-15(16)17(20(24)27)23-19(26)18(25)22-11-14-5-4-8-21-10-14/h4-10,12,17H,11H2,1-3H3,(H,22,25)(H,23,26)/t17-/m1/s1
InChIKeyQQSHIWCZGSHGQN-QGZVFWFLSA-N
MW366.42 g/mol
LogP1.62
Rot. Bonds4

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

N'-[(3R)-5-methyl-2-oxo-1-propan-2-yl-3H-indol-3-yl]-N-(pyridin-3-ylmethyl)oxamide (PubChem CID 40921741) has the molecular formula C20H22N4O3 and a molecular weight of 366.42 g/mol. Its IUPAC name is N'-[(3R)-5-methyl-2-oxo-1-propan-2-yl-3H-indol-3-yl]-N-(pyridin-3-ylmethyl)oxamide.

Molecular Properties

Compound NameN'-[(3R)-5-methyl-2-oxo-1-propan-2-yl-3H-indol-3-yl]-N-(pyridin-3-ylmethyl)oxamide
PubChem CID40921741
Molecular FormulaC20H22N4O3
Molecular Weight366.42 g/mol
Exact Mass366.17
IUPAC NameN'-[(3R)-5-methyl-2-oxo-1-propan-2-yl-3H-indol-3-yl]-N-(pyridin-3-ylmethyl)oxamide
SMILESCc1ccc2c(c1)[C@@H](NC(=O)C(=O)NCc1cccnc1)C(=O)N2C(C)C
InChIInChI=1S/C20H22N4O3/c1-12(2)24-16-7-6-13(3)9-15(16)17(20(24)27)23-19(26)18(25)22-11-14-5-4-8-21-10-14/h4-10,12,17H,11H2,1-3H3,(H,22,25)(H,23,26)/t17-/m1/s1
InChIKeyQQSHIWCZGSHGQN-QGZVFWFLSA-N
XLogP1.62
TPSA91.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.42
LogP ≤ 51.62
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)-5-chloro-1-ethyl-2-oxo-3H-indol-3-yl]-N-(pyridin-3-ylmethyl)oxamide
CID 41010203
N'-[(3-methylphenyl)methyl]-N-(pyridin-3-ylmethyl)oxamide
CID 108984681
N'-(2,5-dimethylphenyl)-N-(pyridin-3-ylmethyl)oxamide
CID 3114033
N'-(2-hydroxy-5-methylphenyl)-N-(pyridin-3-ylmethyl)oxamide
CID 108506700
N'-(2-hydroxypropyl)-N-(pyridin-3-ylmethyl)oxamide
CID 44998654
N'-(2-bromo-5-methylphenyl)-N-(pyridin-3-ylmethyl)oxamide
CID 75435023
1-(2,4-dimethylphenyl)-5-oxo-N-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide
CID 17152021
N-(2-acetamidoethyl)-N'-(pyridin-3-ylmethyl)oxamide
CID 108506762
N'-[(1R,2R)-2-methylcyclohexyl]-N-(pyridin-3-ylmethyl)oxamide
CID 124605662
2-(3-methylphenoxy)-N-(pyridin-3-ylmethyl)propanamide
CID 21366996
(2S)-2-[(3aS,7aS)-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl]-N-(pyridin-3-ylmethyl)propanamide
CID 11939645
(E)-2-cyano-3-(2,5-dimethylphenyl)-N-(pyridin-3-ylmethyl)prop-2-enamide
CID 112979568

Frequently Asked Questions

What is the IUPAC name of N'-[(3R)-5-methyl-2-oxo-1-propan-2-yl-3H-indol-3-yl]-N-(pyridin-3-ylmethyl)oxamide?
The IUPAC name of N'-[(3R)-5-methyl-2-oxo-1-propan-2-yl-3H-indol-3-yl]-N-(pyridin-3-ylmethyl)oxamide (CID 40921741) is N'-[(3R)-5-methyl-2-oxo-1-propan-2-yl-3H-indol-3-yl]-N-(pyridin-3-ylmethyl)oxamide.
What is the SMILES notation for N'-[(3R)-5-methyl-2-oxo-1-propan-2-yl-3H-indol-3-yl]-N-(pyridin-3-ylmethyl)oxamide?
The canonical SMILES for N'-[(3R)-5-methyl-2-oxo-1-propan-2-yl-3H-indol-3-yl]-N-(pyridin-3-ylmethyl)oxamide is Cc1ccc2c(c1)[C@@H](NC(=O)C(=O)NCc1cccnc1)C(=O)N2C(C)C.
What is the InChIKey of N'-[(3R)-5-methyl-2-oxo-1-propan-2-yl-3H-indol-3-yl]-N-(pyridin-3-ylmethyl)oxamide?
The InChIKey is QQSHIWCZGSHGQN-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H22N4O3/c1-12(2)24-16-7-6-13(3)9-15(16)17(20(24)27)23-19(26)18(25)22-11-14-5-4-8-21-10-14/h4-10,12,17H,11H2,1-3H3,(H,22,25)(H,23,26)/t17-/m1/s1.
What are the key properties of N'-[(3R)-5-methyl-2-oxo-1-propan-2-yl-3H-indol-3-yl]-N-(pyridin-3-ylmethyl)oxamide?
N'-[(3R)-5-methyl-2-oxo-1-propan-2-yl-3H-indol-3-yl]-N-(pyridin-3-ylmethyl)oxamide has a molecular weight of 366.42 g/mol, XLogP of 1.62, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(3R)-5-methyl-2-oxo-1-propan-2-yl-3H-indol-3-yl]-N-(pyridin-3-ylmethyl)oxamide is sourced from PubChem (CID 40921741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).