N-(2-ethylphenyl)-N-methyl-2-(1H-pyrrolo[2,3-c]pyridin-3-yl)acetamide

C18H19N3O — CID 167882468

IUPACN-(2-ethylphenyl)-N-methyl-2-(1H-pyrrolo[2,3-c]pyridin-3-yl)acetamide
SMILESCCc1ccccc1N(C)C(=O)Cc1c[nH]c2cnccc12
InChIInChI=1S/C18H19N3O/c1-3-13-6-4-5-7-17(13)21(2)18(22)10-14-11-20-16-12-19-9-8-15(14)16/h4-9,11-12,20H,3,10H2,1-2H3
InChIKeyFINVTOPEQZYHTF-UHFFFAOYSA-N
MW293.37 g/mol
LogP3.33
Rot. Bonds4

About N-(2-ethylphenyl)-N-methyl-2-(1H-pyrrolo[2,3-c]pyridin-3-yl)acetamide

N-(2-ethylphenyl)-N-methyl-2-(1H-pyrrolo[2,3-c]pyridin-3-yl)acetamide (PubChem CID 167882468) has the molecular formula C18H19N3O and a molecular weight of 293.37 g/mol. Its IUPAC name is N-(2-ethylphenyl)-N-methyl-2-(1H-pyrrolo[2,3-c]pyridin-3-yl)acetamide.

Molecular Properties

Compound NameN-(2-ethylphenyl)-N-methyl-2-(1H-pyrrolo[2,3-c]pyridin-3-yl)acetamide
PubChem CID167882468
Molecular FormulaC18H19N3O
Molecular Weight293.37 g/mol
Exact Mass293.15
IUPAC NameN-(2-ethylphenyl)-N-methyl-2-(1H-pyrrolo[2,3-c]pyridin-3-yl)acetamide
SMILESCCc1ccccc1N(C)C(=O)Cc1c[nH]c2cnccc12
InChIInChI=1S/C18H19N3O/c1-3-13-6-4-5-7-17(13)21(2)18(22)10-14-11-20-16-12-19-9-8-15(14)16/h4-9,11-12,20H,3,10H2,1-2H3
InChIKeyFINVTOPEQZYHTF-UHFFFAOYSA-N
XLogP3.33
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2-ethylphenyl)-N-methyl-2-(1H-pyrrolo[2,3-c]pyridin-3-yl)acetamide?
The IUPAC name of N-(2-ethylphenyl)-N-methyl-2-(1H-pyrrolo[2,3-c]pyridin-3-yl)acetamide (CID 167882468) is N-(2-ethylphenyl)-N-methyl-2-(1H-pyrrolo[2,3-c]pyridin-3-yl)acetamide.
What is the SMILES notation for N-(2-ethylphenyl)-N-methyl-2-(1H-pyrrolo[2,3-c]pyridin-3-yl)acetamide?
The canonical SMILES for N-(2-ethylphenyl)-N-methyl-2-(1H-pyrrolo[2,3-c]pyridin-3-yl)acetamide is CCc1ccccc1N(C)C(=O)Cc1c[nH]c2cnccc12.
What is the InChIKey of N-(2-ethylphenyl)-N-methyl-2-(1H-pyrrolo[2,3-c]pyridin-3-yl)acetamide?
The InChIKey is FINVTOPEQZYHTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O/c1-3-13-6-4-5-7-17(13)21(2)18(22)10-14-11-20-16-12-19-9-8-15(14)16/h4-9,11-12,20H,3,10H2,1-2H3.
What are the key properties of N-(2-ethylphenyl)-N-methyl-2-(1H-pyrrolo[2,3-c]pyridin-3-yl)acetamide?
N-(2-ethylphenyl)-N-methyl-2-(1H-pyrrolo[2,3-c]pyridin-3-yl)acetamide has a molecular weight of 293.37 g/mol, XLogP of 3.33, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylphenyl)-N-methyl-2-(1H-pyrrolo[2,3-c]pyridin-3-yl)acetamide is sourced from PubChem (CID 167882468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).