1-[2-(dimethylamino)ethyl]-3-methoxyindole-2-carboxamide

C14H19N3O2 — CID 3060302

IUPAC1-[2-(dimethylamino)ethyl]-3-methoxyindole-2-carboxamide
SMILESCOc1c(C(N)=O)n(CCN(C)C)c2ccccc12
InChIInChI=1S/C14H19N3O2/c1-16(2)8-9-17-11-7-5-4-6-10(11)13(19-3)12(17)14(15)18/h4-7H,8-9H2,1-3H3,(H2,15,18)
InChIKeyQIWVIKLVVZZPOF-UHFFFAOYSA-N
MW261.32 g/mol
LogP1.31
Rot. Bonds5

About 1-[2-(dimethylamino)ethyl]-3-methoxyindole-2-carboxamide

1-[2-(dimethylamino)ethyl]-3-methoxyindole-2-carboxamide (PubChem CID 3060302) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is 1-[2-(dimethylamino)ethyl]-3-methoxyindole-2-carboxamide.

Molecular Properties

Compound Name1-[2-(dimethylamino)ethyl]-3-methoxyindole-2-carboxamide
PubChem CID3060302
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC Name1-[2-(dimethylamino)ethyl]-3-methoxyindole-2-carboxamide
SMILESCOc1c(C(N)=O)n(CCN(C)C)c2ccccc12
InChIInChI=1S/C14H19N3O2/c1-16(2)8-9-17-11-7-5-4-6-10(11)13(19-3)12(17)14(15)18/h4-7H,8-9H2,1-3H3,(H2,15,18)
InChIKeyQIWVIKLVVZZPOF-UHFFFAOYSA-N
XLogP1.31
TPSA60.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(dimethylamino)ethyl]-3-methoxyindole-2-carboxamide?
The IUPAC name of 1-[2-(dimethylamino)ethyl]-3-methoxyindole-2-carboxamide (CID 3060302) is 1-[2-(dimethylamino)ethyl]-3-methoxyindole-2-carboxamide.
What is the SMILES notation for 1-[2-(dimethylamino)ethyl]-3-methoxyindole-2-carboxamide?
The canonical SMILES for 1-[2-(dimethylamino)ethyl]-3-methoxyindole-2-carboxamide is COc1c(C(N)=O)n(CCN(C)C)c2ccccc12.
What is the InChIKey of 1-[2-(dimethylamino)ethyl]-3-methoxyindole-2-carboxamide?
The InChIKey is QIWVIKLVVZZPOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c1-16(2)8-9-17-11-7-5-4-6-10(11)13(19-3)12(17)14(15)18/h4-7H,8-9H2,1-3H3,(H2,15,18).
What are the key properties of 1-[2-(dimethylamino)ethyl]-3-methoxyindole-2-carboxamide?
1-[2-(dimethylamino)ethyl]-3-methoxyindole-2-carboxamide has a molecular weight of 261.32 g/mol, XLogP of 1.31, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(dimethylamino)ethyl]-3-methoxyindole-2-carboxamide is sourced from PubChem (CID 3060302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).