6-amino-N-(1H-imidazol-2-yl)-1H-indole-3-carboxamide

C12H11N5O — CID 63562915

IUPAC6-amino-N-(1H-imidazol-2-yl)-1H-indole-3-carboxamide
SMILESNc1ccc2c(C(=O)Nc3ncc[nH]3)c[nH]c2c1
InChIInChI=1S/C12H11N5O/c13-7-1-2-8-9(6-16-10(8)5-7)11(18)17-12-14-3-4-15-12/h1-6,16H,13H2,(H2,14,15,17,18)
InChIKeyJMAIUTJUSAFFTP-UHFFFAOYSA-N
MW241.25 g/mol
LogP1.73
Rot. Bonds2

About 6-amino-N-(1H-imidazol-2-yl)-1H-indole-3-carboxamide

6-amino-N-(1H-imidazol-2-yl)-1H-indole-3-carboxamide (PubChem CID 63562915) has the molecular formula C12H11N5O and a molecular weight of 241.25 g/mol. Its IUPAC name is 6-amino-N-(1H-imidazol-2-yl)-1H-indole-3-carboxamide.

Molecular Properties

Compound Name6-amino-N-(1H-imidazol-2-yl)-1H-indole-3-carboxamide
PubChem CID63562915
Molecular FormulaC12H11N5O
Molecular Weight241.25 g/mol
Exact Mass241.10
IUPAC Name6-amino-N-(1H-imidazol-2-yl)-1H-indole-3-carboxamide
SMILESNc1ccc2c(C(=O)Nc3ncc[nH]3)c[nH]c2c1
InChIInChI=1S/C12H11N5O/c13-7-1-2-8-9(6-16-10(8)5-7)11(18)17-12-14-3-4-15-12/h1-6,16H,13H2,(H2,14,15,17,18)
InChIKeyJMAIUTJUSAFFTP-UHFFFAOYSA-N
XLogP1.73
TPSA99.59 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.25
LogP ≤ 51.73
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-amino-N-(1H-imidazol-2-ylmethyl)-1H-indole-3-carboxamide
CID 64518943
6-amino-N-(1,3-thiazol-2-yl)-1H-indole-3-carboxamide
CID 61089769
6-amino-N-(6-oxo-1H-pyridazin-3-yl)-1H-indole-3-carboxamide
CID 116786077
6-amino-N-(2-methyl-3-pyridinyl)-1H-indole-3-carboxamide
CID 79041592
6-amino-N-phenyl-1H-indole-3-carboxamide;hydrochloride
CID 71938706
5-amino-N-pyrimidin-2-yl-1H-indole-3-carboxamide
CID 63117023
6-amino-N-(6-methyl-2-pyridinyl)-1H-indole-3-carboxamide
CID 61095295
6-amino-N-(5-bromo-4-methyl-2-pyridinyl)-1H-indole-3-carboxamide
CID 79735745
6-amino-N-(3-bromophenyl)-1H-indole-3-carboxamide
CID 61092255
6-amino-N-(4-methylsulfanylphenyl)-1H-indole-3-carboxamide
CID 61092128
2-amino-N-(1H-imidazol-2-yl)-5-methylbenzamide
CID 63563942
6-amino-N-(2-methoxyphenyl)-1H-indole-3-carboxamide
CID 61089726

Frequently Asked Questions

What is the IUPAC name of 6-amino-N-(1H-imidazol-2-yl)-1H-indole-3-carboxamide?
The IUPAC name of 6-amino-N-(1H-imidazol-2-yl)-1H-indole-3-carboxamide (CID 63562915) is 6-amino-N-(1H-imidazol-2-yl)-1H-indole-3-carboxamide.
What is the SMILES notation for 6-amino-N-(1H-imidazol-2-yl)-1H-indole-3-carboxamide?
The canonical SMILES for 6-amino-N-(1H-imidazol-2-yl)-1H-indole-3-carboxamide is Nc1ccc2c(C(=O)Nc3ncc[nH]3)c[nH]c2c1.
What is the InChIKey of 6-amino-N-(1H-imidazol-2-yl)-1H-indole-3-carboxamide?
The InChIKey is JMAIUTJUSAFFTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N5O/c13-7-1-2-8-9(6-16-10(8)5-7)11(18)17-12-14-3-4-15-12/h1-6,16H,13H2,(H2,14,15,17,18).
What are the key properties of 6-amino-N-(1H-imidazol-2-yl)-1H-indole-3-carboxamide?
6-amino-N-(1H-imidazol-2-yl)-1H-indole-3-carboxamide has a molecular weight of 241.25 g/mol, XLogP of 1.73, 2 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-N-(1H-imidazol-2-yl)-1H-indole-3-carboxamide is sourced from PubChem (CID 63562915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).