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

C10H11N3O — CID 63117746

IUPAC5-amino-N-methyl-1H-indole-2-carboxamide
SMILESCNC(=O)c1cc2cc(N)ccc2[nH]1
InChIInChI=1S/C10H11N3O/c1-12-10(14)9-5-6-4-7(11)2-3-8(6)13-9/h2-5,13H,11H2,1H3,(H,12,14)
InChIKeyFJJRTVQAUFDMRH-UHFFFAOYSA-N
MW189.22 g/mol
LogP1.11
Rot. Bonds1

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

5-amino-N-methyl-1H-indole-2-carboxamide (PubChem CID 63117746) has the molecular formula C10H11N3O and a molecular weight of 189.22 g/mol. Its IUPAC name is 5-amino-N-methyl-1H-indole-2-carboxamide.

Molecular Properties

Compound Name5-amino-N-methyl-1H-indole-2-carboxamide
PubChem CID63117746
Molecular FormulaC10H11N3O
Molecular Weight189.22 g/mol
Exact Mass189.09
IUPAC Name5-amino-N-methyl-1H-indole-2-carboxamide
SMILESCNC(=O)c1cc2cc(N)ccc2[nH]1
InChIInChI=1S/C10H11N3O/c1-12-10(14)9-5-6-4-7(11)2-3-8(6)13-9/h2-5,13H,11H2,1H3,(H,12,14)
InChIKeyFJJRTVQAUFDMRH-UHFFFAOYSA-N
XLogP1.11
TPSA70.91 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.22
LogP ≤ 51.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(5-amino-1H-indol-2-yl)ethanone
CID 59837588
5-amino-N-(N'-methylcarbamimidoyl)-1H-indole-2-carboxamide
CID 70215186
5-amino-N-(4-fluorophenyl)-1H-indole-2-carboxamide
CID 62058585
N-methyl-5-methylsulfonyl-1H-indole-2-carboxamide
CID 175836307
5-amino-N-(4-iodophenyl)-1H-indole-2-carboxamide
CID 62057441
5-amino-N-(2-methylbutyl)-1H-indole-2-carboxamide
CID 55179457
5-amino-N-(2-methylsulfinylethyl)-1H-indole-2-carboxamide
CID 113479607
5-amino-N-[1-(dimethylamino)-1-oxopropan-2-yl]-1H-indole-2-carboxamide
CID 63117766
5-amino-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]-1H-indole-2-carboxamide
CID 79351560
5-amino-N-(2,6-difluorophenyl)-1H-indole-2-carboxamide
CID 63117859
5-amino-N-[(E)-pent-3-enyl]-1H-indole-2-carboxamide
CID 113465240
5-amino-N-(5-methyl-1,3,4-thiadiazol-2-yl)-1H-indole-2-carboxamide
CID 115597844

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-methyl-1H-indole-2-carboxamide?
The IUPAC name of 5-amino-N-methyl-1H-indole-2-carboxamide (CID 63117746) is 5-amino-N-methyl-1H-indole-2-carboxamide.
What is the SMILES notation for 5-amino-N-methyl-1H-indole-2-carboxamide?
The canonical SMILES for 5-amino-N-methyl-1H-indole-2-carboxamide is CNC(=O)c1cc2cc(N)ccc2[nH]1.
What is the InChIKey of 5-amino-N-methyl-1H-indole-2-carboxamide?
The InChIKey is FJJRTVQAUFDMRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O/c1-12-10(14)9-5-6-4-7(11)2-3-8(6)13-9/h2-5,13H,11H2,1H3,(H,12,14).
What are the key properties of 5-amino-N-methyl-1H-indole-2-carboxamide?
5-amino-N-methyl-1H-indole-2-carboxamide has a molecular weight of 189.22 g/mol, XLogP of 1.11, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-methyl-1H-indole-2-carboxamide is sourced from PubChem (CID 63117746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).