5-amino-N-methyl-N-[(1-methylimidazol-2-yl)methyl]-1H-indole-3-carboxamide

C15H17N5O — CID 63116844

IUPAC5-amino-N-methyl-N-[(1-methylimidazol-2-yl)methyl]-1H-indole-3-carboxamide
SMILESCN(Cc1nccn1C)C(=O)c1c[nH]c2ccc(N)cc12
InChIInChI=1S/C15H17N5O/c1-19-6-5-17-14(19)9-20(2)15(21)12-8-18-13-4-3-10(16)7-11(12)13/h3-8,18H,9,16H2,1-2H3
InChIKeyJXNZCDWRDCIPIF-UHFFFAOYSA-N
MW283.34 g/mol
LogP1.76
Rot. Bonds3

About 5-amino-N-methyl-N-[(1-methylimidazol-2-yl)methyl]-1H-indole-3-carboxamide

5-amino-N-methyl-N-[(1-methylimidazol-2-yl)methyl]-1H-indole-3-carboxamide (PubChem CID 63116844) has the molecular formula C15H17N5O and a molecular weight of 283.34 g/mol. Its IUPAC name is 5-amino-N-methyl-N-[(1-methylimidazol-2-yl)methyl]-1H-indole-3-carboxamide.

Molecular Properties

Compound Name5-amino-N-methyl-N-[(1-methylimidazol-2-yl)methyl]-1H-indole-3-carboxamide
PubChem CID63116844
Molecular FormulaC15H17N5O
Molecular Weight283.34 g/mol
Exact Mass283.14
IUPAC Name5-amino-N-methyl-N-[(1-methylimidazol-2-yl)methyl]-1H-indole-3-carboxamide
SMILESCN(Cc1nccn1C)C(=O)c1c[nH]c2ccc(N)cc12
InChIInChI=1S/C15H17N5O/c1-19-6-5-17-14(19)9-20(2)15(21)12-8-18-13-4-3-10(16)7-11(12)13/h3-8,18H,9,16H2,1-2H3
InChIKeyJXNZCDWRDCIPIF-UHFFFAOYSA-N
XLogP1.76
TPSA79.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.34
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-amino-2-chloro-N-methyl-N-[(1-methylimidazol-2-yl)methyl]benzamide
CID 61116431
5-amino-N-methyl-N-(2-methylpropyl)-1H-indole-3-carboxamide
CID 63116873
N-methyl-N-[(1-methylimidazol-2-yl)methyl]-1H-indole-5-carboxamide
CID 63718786
5-amino-N-[(4-bromothiophen-2-yl)methyl]-N-methyl-1H-indole-3-carboxamide
CID 63116787
5-amino-N-methyl-N-[(1-methylimidazol-2-yl)methyl]pyrazine-2-carboxamide
CID 113383759
3-amino-4-(dimethylamino)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]benzamide
CID 61115484
6-amino-N-methyl-N-(pyridin-4-ylmethyl)-1H-indole-3-carboxamide
CID 61095235
2-hydroxy-N,4-dimethyl-N-[(1-methylimidazol-2-yl)methyl]benzamide
CID 60717766
5-[methyl-[(1-methylimidazol-2-yl)methyl]carbamoyl]thiophene-2-carboxylic acid
CID 60721954
2-fluoro-N,5-dimethyl-N-[(1-methylimidazol-2-yl)methyl]benzamide
CID 62514005
3-(1H-indol-3-yl)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]propanamide
CID 86908150
4-bromo-2-fluoro-N-methyl-N-[(1-methylimidazol-2-yl)methyl]benzamide
CID 47120153

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-methyl-N-[(1-methylimidazol-2-yl)methyl]-1H-indole-3-carboxamide?
The IUPAC name of 5-amino-N-methyl-N-[(1-methylimidazol-2-yl)methyl]-1H-indole-3-carboxamide (CID 63116844) is 5-amino-N-methyl-N-[(1-methylimidazol-2-yl)methyl]-1H-indole-3-carboxamide.
What is the SMILES notation for 5-amino-N-methyl-N-[(1-methylimidazol-2-yl)methyl]-1H-indole-3-carboxamide?
The canonical SMILES for 5-amino-N-methyl-N-[(1-methylimidazol-2-yl)methyl]-1H-indole-3-carboxamide is CN(Cc1nccn1C)C(=O)c1c[nH]c2ccc(N)cc12.
What is the InChIKey of 5-amino-N-methyl-N-[(1-methylimidazol-2-yl)methyl]-1H-indole-3-carboxamide?
The InChIKey is JXNZCDWRDCIPIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5O/c1-19-6-5-17-14(19)9-20(2)15(21)12-8-18-13-4-3-10(16)7-11(12)13/h3-8,18H,9,16H2,1-2H3.
What are the key properties of 5-amino-N-methyl-N-[(1-methylimidazol-2-yl)methyl]-1H-indole-3-carboxamide?
5-amino-N-methyl-N-[(1-methylimidazol-2-yl)methyl]-1H-indole-3-carboxamide has a molecular weight of 283.34 g/mol, XLogP of 1.76, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-methyl-N-[(1-methylimidazol-2-yl)methyl]-1H-indole-3-carboxamide is sourced from PubChem (CID 63116844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).