3-cyano-N-methyl-N-(1-methyl-2-oxo-3H-indol-5-yl)propanamide

C14H15N3O2 — CID 115173643

IUPAC3-cyano-N-methyl-N-(1-methyl-2-oxo-3H-indol-5-yl)propanamide
SMILESCN(C(=O)CCC#N)c1ccc2c(c1)CC(=O)N2C
InChIInChI=1S/C14H15N3O2/c1-16(13(18)4-3-7-15)11-5-6-12-10(8-11)9-14(19)17(12)2/h5-6,8H,3-4,9H2,1-2H3
InChIKeyJKHVXGYHKZBGIX-UHFFFAOYSA-N
MW257.29 g/mol
LogP1.47
Rot. Bonds3

About 3-cyano-N-methyl-N-(1-methyl-2-oxo-3H-indol-5-yl)propanamide

3-cyano-N-methyl-N-(1-methyl-2-oxo-3H-indol-5-yl)propanamide (PubChem CID 115173643) has the molecular formula C14H15N3O2 and a molecular weight of 257.29 g/mol. Its IUPAC name is 3-cyano-N-methyl-N-(1-methyl-2-oxo-3H-indol-5-yl)propanamide.

Molecular Properties

Compound Name3-cyano-N-methyl-N-(1-methyl-2-oxo-3H-indol-5-yl)propanamide
PubChem CID115173643
Molecular FormulaC14H15N3O2
Molecular Weight257.29 g/mol
Exact Mass257.12
IUPAC Name3-cyano-N-methyl-N-(1-methyl-2-oxo-3H-indol-5-yl)propanamide
SMILESCN(C(=O)CCC#N)c1ccc2c(c1)CC(=O)N2C
InChIInChI=1S/C14H15N3O2/c1-16(13(18)4-3-7-15)11-5-6-12-10(8-11)9-14(19)17(12)2/h5-6,8H,3-4,9H2,1-2H3
InChIKeyJKHVXGYHKZBGIX-UHFFFAOYSA-N
XLogP1.47
TPSA64.41 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 51.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-N-methyl-N-(1-methyl-2-oxo-3H-indol-5-yl)acetamide
CID 115161891
N-methyl-N-(1-methyl-2-oxo-3H-indol-5-yl)-2-oxoacetamide
CID 115166052
4-[methyl-(1-methyl-2-oxo-3H-indol-5-yl)amino]-3-oxobutanenitrile
CID 117038331
3-[(1-methyl-2-oxo-3H-indol-5-yl)sulfonyl]propanenitrile
CID 116855309
4-(1-methyl-2-oxo-3H-indol-5-yl)butanenitrile
CID 82471108
3-[methyl-(1-methyl-2-oxo-3H-indol-5-yl)amino]butanoic acid
CID 117042109
N-(cyanomethyl)-2-(1-methyl-2-oxo-3H-indol-5-yl)acetamide
CID 82477992
3-[ethyl-(1-methyl-2-oxo-3H-indol-5-yl)amino]propanoic acid
CID 117099943
3-cyano-N-(3-fluorophenyl)-N-methylpropanamide
CID 115173707
2-hydroxy-N-methyl-N-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)propanamide
CID 115140510
2-[[1-(3-cyanopropyl)-2-oxo-3,4-dihydroquinolin-6-yl]-methylamino]acetic acid
CID 117099647
2-[[1-(cyanomethyl)-2-oxo-3H-indol-5-yl]-methylamino]acetic acid
CID 117099864

Frequently Asked Questions

What is the IUPAC name of 3-cyano-N-methyl-N-(1-methyl-2-oxo-3H-indol-5-yl)propanamide?
The IUPAC name of 3-cyano-N-methyl-N-(1-methyl-2-oxo-3H-indol-5-yl)propanamide (CID 115173643) is 3-cyano-N-methyl-N-(1-methyl-2-oxo-3H-indol-5-yl)propanamide.
What is the SMILES notation for 3-cyano-N-methyl-N-(1-methyl-2-oxo-3H-indol-5-yl)propanamide?
The canonical SMILES for 3-cyano-N-methyl-N-(1-methyl-2-oxo-3H-indol-5-yl)propanamide is CN(C(=O)CCC#N)c1ccc2c(c1)CC(=O)N2C.
What is the InChIKey of 3-cyano-N-methyl-N-(1-methyl-2-oxo-3H-indol-5-yl)propanamide?
The InChIKey is JKHVXGYHKZBGIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O2/c1-16(13(18)4-3-7-15)11-5-6-12-10(8-11)9-14(19)17(12)2/h5-6,8H,3-4,9H2,1-2H3.
What are the key properties of 3-cyano-N-methyl-N-(1-methyl-2-oxo-3H-indol-5-yl)propanamide?
3-cyano-N-methyl-N-(1-methyl-2-oxo-3H-indol-5-yl)propanamide has a molecular weight of 257.29 g/mol, XLogP of 1.47, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-N-methyl-N-(1-methyl-2-oxo-3H-indol-5-yl)propanamide is sourced from PubChem (CID 115173643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).