N-methyl-2-(2-oxobenzo[cd]indol-1-yl)-N-(2-pyridin-2-ylethyl)propanamide

C22H21N3O2 — CID 50960947

IUPACN-methyl-2-(2-oxobenzo[cd]indol-1-yl)-N-(2-pyridin-2-ylethyl)propanamide
SMILESCC(C(=O)N(C)CCc1ccccn1)N1C(=O)c2cccc3cccc1c23
InChIInChI=1S/C22H21N3O2/c1-15(21(26)24(2)14-12-17-9-3-4-13-23-17)25-19-11-6-8-16-7-5-10-18(20(16)19)22(25)27/h3-11,13,15H,12,14H2,1-2H3
InChIKeyDFLQRYPKDXZLTI-UHFFFAOYSA-N
MW359.43 g/mol
LogP3.28
Rot. Bonds5

About N-methyl-2-(2-oxobenzo[cd]indol-1-yl)-N-(2-pyridin-2-ylethyl)propanamide

N-methyl-2-(2-oxobenzo[cd]indol-1-yl)-N-(2-pyridin-2-ylethyl)propanamide (PubChem CID 50960947) has the molecular formula C22H21N3O2 and a molecular weight of 359.43 g/mol. Its IUPAC name is N-methyl-2-(2-oxobenzo[cd]indol-1-yl)-N-(2-pyridin-2-ylethyl)propanamide.

Molecular Properties

Compound NameN-methyl-2-(2-oxobenzo[cd]indol-1-yl)-N-(2-pyridin-2-ylethyl)propanamide
PubChem CID50960947
Molecular FormulaC22H21N3O2
Molecular Weight359.43 g/mol
Exact Mass359.16
IUPAC NameN-methyl-2-(2-oxobenzo[cd]indol-1-yl)-N-(2-pyridin-2-ylethyl)propanamide
SMILESCC(C(=O)N(C)CCc1ccccn1)N1C(=O)c2cccc3cccc1c23
InChIInChI=1S/C22H21N3O2/c1-15(21(26)24(2)14-12-17-9-3-4-13-23-17)25-19-11-6-8-16-7-5-10-18(20(16)19)22(25)27/h3-11,13,15H,12,14H2,1-2H3
InChIKeyDFLQRYPKDXZLTI-UHFFFAOYSA-N
XLogP3.28
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-3-hydroxy-N-methyl-N-(2-pyridin-2-ylethyl)propanamide
CID 115180171
3-amino-3-hydroxyimino-N,2-dimethyl-N-(2-pyridin-2-ylethyl)propanamide
CID 76926661
N-methyl-N-(2-pyridin-2-ylethyl)-2-pyridin-2-ylsulfanylpropanamide
CID 71973637
2-(3-aminophenyl)-N-methyl-N-(2-pyridin-2-ylethyl)propanamide
CID 106590813
ethane;N-methyl-N-(2-pyridin-2-ylethyl)acetamide
CID 143678158
N-(4-chlorophenyl)-2-(1,3-dioxoisoindol-2-yl)-N-(pyridin-2-ylmethyl)propanamide
CID 60535758
2,6-diamino-N-methyl-N-(2-pyridin-2-ylethyl)hexanamide
CID 178172548
2-[methyl(2-pyridin-2-ylethyl)amino]-2-oxoacetic acid
CID 43445021
3-iodo-N-methyl-N-(2-pyridin-2-ylethyl)benzamide
CID 60653685
N-methyl-N-(2-pyridin-2-ylethyl)-3-sulfanylbenzamide
CID 107021824
(2S)-N-(2-methoxyethyl)-2-(2-oxobenzo[cd]indol-1-yl)propanamide
CID 2224775
methyl 2-[methyl(2-pyridin-2-ylethyl)carbamoyl]butanoate
CID 115187986

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(2-oxobenzo[cd]indol-1-yl)-N-(2-pyridin-2-ylethyl)propanamide?
The IUPAC name of N-methyl-2-(2-oxobenzo[cd]indol-1-yl)-N-(2-pyridin-2-ylethyl)propanamide (CID 50960947) is N-methyl-2-(2-oxobenzo[cd]indol-1-yl)-N-(2-pyridin-2-ylethyl)propanamide.
What is the SMILES notation for N-methyl-2-(2-oxobenzo[cd]indol-1-yl)-N-(2-pyridin-2-ylethyl)propanamide?
The canonical SMILES for N-methyl-2-(2-oxobenzo[cd]indol-1-yl)-N-(2-pyridin-2-ylethyl)propanamide is CC(C(=O)N(C)CCc1ccccn1)N1C(=O)c2cccc3cccc1c23.
What is the InChIKey of N-methyl-2-(2-oxobenzo[cd]indol-1-yl)-N-(2-pyridin-2-ylethyl)propanamide?
The InChIKey is DFLQRYPKDXZLTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O2/c1-15(21(26)24(2)14-12-17-9-3-4-13-23-17)25-19-11-6-8-16-7-5-10-18(20(16)19)22(25)27/h3-11,13,15H,12,14H2,1-2H3.
What are the key properties of N-methyl-2-(2-oxobenzo[cd]indol-1-yl)-N-(2-pyridin-2-ylethyl)propanamide?
N-methyl-2-(2-oxobenzo[cd]indol-1-yl)-N-(2-pyridin-2-ylethyl)propanamide has a molecular weight of 359.43 g/mol, XLogP of 3.28, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(2-oxobenzo[cd]indol-1-yl)-N-(2-pyridin-2-ylethyl)propanamide is sourced from PubChem (CID 50960947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).