7-amino-N-(2-methylcyclopropyl)-1H-indole-2-carboxamide

C13H15N3O — CID 63117948

IUPAC7-amino-N-(2-methylcyclopropyl)-1H-indole-2-carboxamide
SMILESCC1CC1NC(=O)c1cc2cccc(N)c2[nH]1
InChIInChI=1S/C13H15N3O/c1-7-5-10(7)16-13(17)11-6-8-3-2-4-9(14)12(8)15-11/h2-4,6-7,10,15H,5,14H2,1H3,(H,16,17)
InChIKeyVBJLFXBKFQPIKN-UHFFFAOYSA-N
MW229.28 g/mol
LogP1.89
Rot. Bonds2

About 7-amino-N-(2-methylcyclopropyl)-1H-indole-2-carboxamide

7-amino-N-(2-methylcyclopropyl)-1H-indole-2-carboxamide (PubChem CID 63117948) has the molecular formula C13H15N3O and a molecular weight of 229.28 g/mol. Its IUPAC name is 7-amino-N-(2-methylcyclopropyl)-1H-indole-2-carboxamide.

Molecular Properties

Compound Name7-amino-N-(2-methylcyclopropyl)-1H-indole-2-carboxamide
PubChem CID63117948
Molecular FormulaC13H15N3O
Molecular Weight229.28 g/mol
Exact Mass229.12
IUPAC Name7-amino-N-(2-methylcyclopropyl)-1H-indole-2-carboxamide
SMILESCC1CC1NC(=O)c1cc2cccc(N)c2[nH]1
InChIInChI=1S/C13H15N3O/c1-7-5-10(7)16-13(17)11-6-8-3-2-4-9(14)12(8)15-11/h2-4,6-7,10,15H,5,14H2,1H3,(H,16,17)
InChIKeyVBJLFXBKFQPIKN-UHFFFAOYSA-N
XLogP1.89
TPSA70.91 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 51.89
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

7-amino-N-cyclohexyl-1H-indole-2-carboxamide
CID 62057455
7-amino-N-propyl-1H-indole-2-carboxamide
CID 62056831
methyl 7-amino-1H-indole-2-carboxylate
CID 18550972
7-amino-N-[1-(hydroxymethyl)cyclopentyl]-1H-indole-2-carboxamide
CID 63117982
7-amino-N-(1,3-dihydroxypropan-2-yl)-1H-indole-2-carboxamide
CID 65309948
7-amino-N-(4-methoxyphenyl)-1H-indole-2-carboxamide
CID 62057891
(7-amino-1H-indol-2-yl)-(4-methylpiperidin-1-yl)methanone
CID 62058735
7-amino-N-(1-methylpyrazol-3-yl)-1H-indole-2-carboxamide
CID 62058461
7-amino-N-(4-chlorophenyl)-1H-indole-2-carboxamide
CID 63117531
7-amino-N-[3-(dimethylamino)-2,2-dimethylpropyl]-1H-indole-2-carboxamide
CID 63117459
7-chloro-N-[(2S,3S)-2-methyloxolan-3-yl]-1H-indole-2-carboxamide
CID 166475971
7-chloro-N-(2-methyloxolan-3-yl)-1H-indole-2-carboxamide
CID 166475954

Frequently Asked Questions

What is the IUPAC name of 7-amino-N-(2-methylcyclopropyl)-1H-indole-2-carboxamide?
The IUPAC name of 7-amino-N-(2-methylcyclopropyl)-1H-indole-2-carboxamide (CID 63117948) is 7-amino-N-(2-methylcyclopropyl)-1H-indole-2-carboxamide.
What is the SMILES notation for 7-amino-N-(2-methylcyclopropyl)-1H-indole-2-carboxamide?
The canonical SMILES for 7-amino-N-(2-methylcyclopropyl)-1H-indole-2-carboxamide is CC1CC1NC(=O)c1cc2cccc(N)c2[nH]1.
What is the InChIKey of 7-amino-N-(2-methylcyclopropyl)-1H-indole-2-carboxamide?
The InChIKey is VBJLFXBKFQPIKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O/c1-7-5-10(7)16-13(17)11-6-8-3-2-4-9(14)12(8)15-11/h2-4,6-7,10,15H,5,14H2,1H3,(H,16,17).
What are the key properties of 7-amino-N-(2-methylcyclopropyl)-1H-indole-2-carboxamide?
7-amino-N-(2-methylcyclopropyl)-1H-indole-2-carboxamide has a molecular weight of 229.28 g/mol, XLogP of 1.89, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-N-(2-methylcyclopropyl)-1H-indole-2-carboxamide is sourced from PubChem (CID 63117948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).