5-amino-N-methyl-N-[(2-methylcyclopropyl)methyl]-1H-indole-2-carboxamide

C15H19N3O — CID 63877695

IUPAC5-amino-N-methyl-N-[(2-methylcyclopropyl)methyl]-1H-indole-2-carboxamide
SMILESCC1CC1CN(C)C(=O)c1cc2cc(N)ccc2[nH]1
InChIInChI=1S/C15H19N3O/c1-9-5-11(9)8-18(2)15(19)14-7-10-6-12(16)3-4-13(10)17-14/h3-4,6-7,9,11,17H,5,8,16H2,1-2H3
InChIKeyVSHFSGUTXPYNNY-UHFFFAOYSA-N
MW257.34 g/mol
LogP2.48
Rot. Bonds3

About 5-amino-N-methyl-N-[(2-methylcyclopropyl)methyl]-1H-indole-2-carboxamide

5-amino-N-methyl-N-[(2-methylcyclopropyl)methyl]-1H-indole-2-carboxamide (PubChem CID 63877695) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is 5-amino-N-methyl-N-[(2-methylcyclopropyl)methyl]-1H-indole-2-carboxamide.

Molecular Properties

Compound Name5-amino-N-methyl-N-[(2-methylcyclopropyl)methyl]-1H-indole-2-carboxamide
PubChem CID63877695
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name5-amino-N-methyl-N-[(2-methylcyclopropyl)methyl]-1H-indole-2-carboxamide
SMILESCC1CC1CN(C)C(=O)c1cc2cc(N)ccc2[nH]1
InChIInChI=1S/C15H19N3O/c1-9-5-11(9)8-18(2)15(19)14-7-10-6-12(16)3-4-13(10)17-14/h3-4,6-7,9,11,17H,5,8,16H2,1-2H3
InChIKeyVSHFSGUTXPYNNY-UHFFFAOYSA-N
XLogP2.48
TPSA62.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-amino-N-methyl-N-[(2-methylcyclopropyl)methyl]-1H-indole-2-carboxamide?
The IUPAC name of 5-amino-N-methyl-N-[(2-methylcyclopropyl)methyl]-1H-indole-2-carboxamide (CID 63877695) is 5-amino-N-methyl-N-[(2-methylcyclopropyl)methyl]-1H-indole-2-carboxamide.
What is the SMILES notation for 5-amino-N-methyl-N-[(2-methylcyclopropyl)methyl]-1H-indole-2-carboxamide?
The canonical SMILES for 5-amino-N-methyl-N-[(2-methylcyclopropyl)methyl]-1H-indole-2-carboxamide is CC1CC1CN(C)C(=O)c1cc2cc(N)ccc2[nH]1.
What is the InChIKey of 5-amino-N-methyl-N-[(2-methylcyclopropyl)methyl]-1H-indole-2-carboxamide?
The InChIKey is VSHFSGUTXPYNNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-9-5-11(9)8-18(2)15(19)14-7-10-6-12(16)3-4-13(10)17-14/h3-4,6-7,9,11,17H,5,8,16H2,1-2H3.
What are the key properties of 5-amino-N-methyl-N-[(2-methylcyclopropyl)methyl]-1H-indole-2-carboxamide?
5-amino-N-methyl-N-[(2-methylcyclopropyl)methyl]-1H-indole-2-carboxamide has a molecular weight of 257.34 g/mol, XLogP of 2.48, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-methyl-N-[(2-methylcyclopropyl)methyl]-1H-indole-2-carboxamide is sourced from PubChem (CID 63877695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).