5-amino-N-ethyl-N-methyl-1H-indole-2-carboxamide

C12H15N3O — CID 63117893

IUPAC5-amino-N-ethyl-N-methyl-1H-indole-2-carboxamide
SMILESCCN(C)C(=O)c1cc2cc(N)ccc2[nH]1
InChIInChI=1S/C12H15N3O/c1-3-15(2)12(16)11-7-8-6-9(13)4-5-10(8)14-11/h4-7,14H,3,13H2,1-2H3
InChIKeyXWTNQVDKGYPIQN-UHFFFAOYSA-N
MW217.27 g/mol
LogP1.84
Rot. Bonds2

About 5-amino-N-ethyl-N-methyl-1H-indole-2-carboxamide

5-amino-N-ethyl-N-methyl-1H-indole-2-carboxamide (PubChem CID 63117893) has the molecular formula C12H15N3O and a molecular weight of 217.27 g/mol. Its IUPAC name is 5-amino-N-ethyl-N-methyl-1H-indole-2-carboxamide.

Molecular Properties

Compound Name5-amino-N-ethyl-N-methyl-1H-indole-2-carboxamide
PubChem CID63117893
Molecular FormulaC12H15N3O
Molecular Weight217.27 g/mol
Exact Mass217.12
IUPAC Name5-amino-N-ethyl-N-methyl-1H-indole-2-carboxamide
SMILESCCN(C)C(=O)c1cc2cc(N)ccc2[nH]1
InChIInChI=1S/C12H15N3O/c1-3-15(2)12(16)11-7-8-6-9(13)4-5-10(8)14-11/h4-7,14H,3,13H2,1-2H3
InChIKeyXWTNQVDKGYPIQN-UHFFFAOYSA-N
XLogP1.84
TPSA62.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

5-amino-N-butyl-N-methyl-1H-indole-2-carboxamide
CID 62058452
ethyl 2-[(5-amino-1H-indole-2-carbonyl)-methylamino]acetate
CID 63118284
5-amino-N-butan-2-yl-N-ethyl-1H-indole-2-carboxamide
CID 63117753
5-amino-N-methyl-N-[(2-methylcyclopropyl)methyl]-1H-indole-2-carboxamide
CID 63877695
N-ethyl-N-methyl-1H-indole-2-carboxamide
CID 43421002
5-amino-N-[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]-1H-indole-2-carboxamide
CID 103106426
5-amino-N-ethyl-N-[2-(methylamino)-2-oxoethyl]-1H-indole-2-carboxamide
CID 63117755
5-amino-N-methyl-N-(oxan-4-ylmethyl)-1H-indole-2-carboxamide
CID 63727606
5-amino-N-methyl-N-(1,3-thiazol-4-ylmethyl)-1H-indole-2-carboxamide
CID 63118342
1-(5-amino-1H-indol-2-yl)ethanone
CID 59837588
5-amino-N-ethyl-N-(furan-2-ylmethyl)-1H-indole-2-carboxamide
CID 62056822
5-amino-N-(1-cyclopropylethyl)-N-methyl-1H-indole-2-carboxamide
CID 55178492

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-ethyl-N-methyl-1H-indole-2-carboxamide?
The IUPAC name of 5-amino-N-ethyl-N-methyl-1H-indole-2-carboxamide (CID 63117893) is 5-amino-N-ethyl-N-methyl-1H-indole-2-carboxamide.
What is the SMILES notation for 5-amino-N-ethyl-N-methyl-1H-indole-2-carboxamide?
The canonical SMILES for 5-amino-N-ethyl-N-methyl-1H-indole-2-carboxamide is CCN(C)C(=O)c1cc2cc(N)ccc2[nH]1.
What is the InChIKey of 5-amino-N-ethyl-N-methyl-1H-indole-2-carboxamide?
The InChIKey is XWTNQVDKGYPIQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O/c1-3-15(2)12(16)11-7-8-6-9(13)4-5-10(8)14-11/h4-7,14H,3,13H2,1-2H3.
What are the key properties of 5-amino-N-ethyl-N-methyl-1H-indole-2-carboxamide?
5-amino-N-ethyl-N-methyl-1H-indole-2-carboxamide has a molecular weight of 217.27 g/mol, XLogP of 1.84, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-ethyl-N-methyl-1H-indole-2-carboxamide is sourced from PubChem (CID 63117893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).