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

C13H13N5O — CID 64518943

IUPAC6-amino-N-(1H-imidazol-2-ylmethyl)-1H-indole-3-carboxamide
SMILESNc1ccc2c(C(=O)NCc3ncc[nH]3)c[nH]c2c1
InChIInChI=1S/C13H13N5O/c14-8-1-2-9-10(6-17-11(9)5-8)13(19)18-7-12-15-3-4-16-12/h1-6,17H,7,14H2,(H,15,16)(H,18,19)
InChIKeyQDMBVZKOLOYIGI-UHFFFAOYSA-N
MW255.28 g/mol
LogP1.40
Rot. Bonds3

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

6-amino-N-(1H-imidazol-2-ylmethyl)-1H-indole-3-carboxamide (PubChem CID 64518943) has the molecular formula C13H13N5O and a molecular weight of 255.28 g/mol. Its IUPAC name is 6-amino-N-(1H-imidazol-2-ylmethyl)-1H-indole-3-carboxamide.

Molecular Properties

Compound Name6-amino-N-(1H-imidazol-2-ylmethyl)-1H-indole-3-carboxamide
PubChem CID64518943
Molecular FormulaC13H13N5O
Molecular Weight255.28 g/mol
Exact Mass255.11
IUPAC Name6-amino-N-(1H-imidazol-2-ylmethyl)-1H-indole-3-carboxamide
SMILESNc1ccc2c(C(=O)NCc3ncc[nH]3)c[nH]c2c1
InChIInChI=1S/C13H13N5O/c14-8-1-2-9-10(6-17-11(9)5-8)13(19)18-7-12-15-3-4-16-12/h1-6,17H,7,14H2,(H,15,16)(H,18,19)
InChIKeyQDMBVZKOLOYIGI-UHFFFAOYSA-N
XLogP1.40
TPSA99.59 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.28
LogP ≤ 51.40
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-yl)-1H-indole-3-carboxamide
CID 63562915
4-amino-2-chloro-N-(1H-imidazol-2-ylmethyl)benzamide
CID 64517590
2-(4-aminophenyl)-N-(1H-imidazol-2-ylmethyl)acetamide
CID 64517782
6-amino-N-(2,2-difluoroethyl)-1H-indole-3-carboxamide
CID 115405243
6-amino-N-[(3-fluorophenyl)methyl]-1H-indole-3-carboxamide
CID 61095134
6-amino-N-(3,3-dimethylbutyl)-1H-indole-3-carboxamide
CID 115597694
6-amino-N-(3-methoxypropyl)-1H-indole-3-carboxamide
CID 61095149
6-amino-N-(2-phenylethyl)-1H-indole-3-carboxamide
CID 61091496
6-amino-N-(6-oxo-1H-pyridazin-3-yl)-1H-indole-3-carboxamide
CID 116786077
6-amino-N-(1,3-thiazol-2-yl)-1H-indole-3-carboxamide
CID 61089769
N-(1H-imidazol-2-ylmethyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide
CID 64529437
3-amino-N-(1H-imidazol-2-ylmethyl)-2-methylbenzamide
CID 64518946

Frequently Asked Questions

What is the IUPAC name of 6-amino-N-(1H-imidazol-2-ylmethyl)-1H-indole-3-carboxamide?
The IUPAC name of 6-amino-N-(1H-imidazol-2-ylmethyl)-1H-indole-3-carboxamide (CID 64518943) is 6-amino-N-(1H-imidazol-2-ylmethyl)-1H-indole-3-carboxamide.
What is the SMILES notation for 6-amino-N-(1H-imidazol-2-ylmethyl)-1H-indole-3-carboxamide?
The canonical SMILES for 6-amino-N-(1H-imidazol-2-ylmethyl)-1H-indole-3-carboxamide is Nc1ccc2c(C(=O)NCc3ncc[nH]3)c[nH]c2c1.
What is the InChIKey of 6-amino-N-(1H-imidazol-2-ylmethyl)-1H-indole-3-carboxamide?
The InChIKey is QDMBVZKOLOYIGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N5O/c14-8-1-2-9-10(6-17-11(9)5-8)13(19)18-7-12-15-3-4-16-12/h1-6,17H,7,14H2,(H,15,16)(H,18,19).
What are the key properties of 6-amino-N-(1H-imidazol-2-ylmethyl)-1H-indole-3-carboxamide?
6-amino-N-(1H-imidazol-2-ylmethyl)-1H-indole-3-carboxamide has a molecular weight of 255.28 g/mol, XLogP of 1.40, 3 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-ylmethyl)-1H-indole-3-carboxamide is sourced from PubChem (CID 64518943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).