N-[2-(1H-indol-3-yl)ethyl]-1-methylimidazole-4-carboxamide

C15H16N4O — CID 103803030

IUPACN-[2-(1H-indol-3-yl)ethyl]-1-methylimidazole-4-carboxamide
SMILESCn1cnc(C(=O)NCCc2c[nH]c3ccccc23)c1
InChIInChI=1S/C15H16N4O/c1-19-9-14(18-10-19)15(20)16-7-6-11-8-17-13-5-3-2-4-12(11)13/h2-5,8-10,17H,6-7H2,1H3,(H,16,20)
InChIKeyJSUHZUSFMYTZNA-UHFFFAOYSA-N
MW268.32 g/mol
LogP1.87
Rot. Bonds4

About N-[2-(1H-indol-3-yl)ethyl]-1-methylimidazole-4-carboxamide

N-[2-(1H-indol-3-yl)ethyl]-1-methylimidazole-4-carboxamide (PubChem CID 103803030) has the molecular formula C15H16N4O and a molecular weight of 268.32 g/mol. Its IUPAC name is N-[2-(1H-indol-3-yl)ethyl]-1-methylimidazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-(1H-indol-3-yl)ethyl]-1-methylimidazole-4-carboxamide
PubChem CID103803030
Molecular FormulaC15H16N4O
Molecular Weight268.32 g/mol
Exact Mass268.13
IUPAC NameN-[2-(1H-indol-3-yl)ethyl]-1-methylimidazole-4-carboxamide
SMILESCn1cnc(C(=O)NCCc2c[nH]c3ccccc23)c1
InChIInChI=1S/C15H16N4O/c1-19-9-14(18-10-19)15(20)16-7-6-11-8-17-13-5-3-2-4-12(11)13/h2-5,8-10,17H,6-7H2,1H3,(H,16,20)
InChIKeyJSUHZUSFMYTZNA-UHFFFAOYSA-N
XLogP1.87
TPSA62.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(1H-indol-3-yl)ethyl]-1-methyltriazole-4-carboxamide
CID 45497188
N-[2-(1H-indol-3-yl)ethyl]-2-methyltriazole-4-carboxamide
CID 110691403
N-[2-(1H-indol-3-yl)ethyl]-1-methyl-5-oxo-4H-1,2,4-triazole-3-carboxamide
CID 136849781
1-N,4-N-bis[2-(1H-indol-3-yl)ethyl]benzene-1,4-dicarboxamide
CID 42988811
2-(diethylamino)-N-[2-(1H-indol-3-yl)ethyl]pyrimidine-4-carboxamide
CID 109309635
3-ethoxy-1-ethyl-N-[2-(1H-indol-3-yl)ethyl]pyrazole-4-carboxamide
CID 16925475
N-[2-(1H-indol-3-yl)ethyl]-1-(4-methoxyphenyl)triazole-4-carboxamide
CID 23610505
N-[2-(1H-indol-3-yl)ethyl]-6-methylpyrazine-2-carboxamide
CID 146080613
N-[2-(1H-indol-3-yl)ethyl]-5-methyl-1,2-thiazole-3-carboxamide
CID 84576677
N-[2-(1H-indol-3-yl)ethyl]pyrazolo[1,5-a]pyrimidine-7-carboxamide
CID 110853433
N-[2-(1H-indol-3-yl)ethyl]-5-(N-methylanilino)pyrazine-2-carboxamide
CID 109285636
N-[2-(1H-indol-3-yl)ethyl]-2,4,6-trimethylpyrimidine-5-carboxamide
CID 110853427

Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-indol-3-yl)ethyl]-1-methylimidazole-4-carboxamide?
The IUPAC name of N-[2-(1H-indol-3-yl)ethyl]-1-methylimidazole-4-carboxamide (CID 103803030) is N-[2-(1H-indol-3-yl)ethyl]-1-methylimidazole-4-carboxamide.
What is the SMILES notation for N-[2-(1H-indol-3-yl)ethyl]-1-methylimidazole-4-carboxamide?
The canonical SMILES for N-[2-(1H-indol-3-yl)ethyl]-1-methylimidazole-4-carboxamide is Cn1cnc(C(=O)NCCc2c[nH]c3ccccc23)c1.
What is the InChIKey of N-[2-(1H-indol-3-yl)ethyl]-1-methylimidazole-4-carboxamide?
The InChIKey is JSUHZUSFMYTZNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O/c1-19-9-14(18-10-19)15(20)16-7-6-11-8-17-13-5-3-2-4-12(11)13/h2-5,8-10,17H,6-7H2,1H3,(H,16,20).
What are the key properties of N-[2-(1H-indol-3-yl)ethyl]-1-methylimidazole-4-carboxamide?
N-[2-(1H-indol-3-yl)ethyl]-1-methylimidazole-4-carboxamide has a molecular weight of 268.32 g/mol, XLogP of 1.87, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1H-indol-3-yl)ethyl]-1-methylimidazole-4-carboxamide is sourced from PubChem (CID 103803030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).