N-[2-(1H-indol-3-yl)ethyl]-2,4,6-trimethylpyrimidine-5-carboxamide

C18H20N4O — CID 110853427

IUPACN-[2-(1H-indol-3-yl)ethyl]-2,4,6-trimethylpyrimidine-5-carboxamide
SMILESCc1nc(C)c(C(=O)NCCc2c[nH]c3ccccc23)c(C)n1
InChIInChI=1S/C18H20N4O/c1-11-17(12(2)22-13(3)21-11)18(23)19-9-8-14-10-20-16-7-5-4-6-15(14)16/h4-7,10,20H,8-9H2,1-3H3,(H,19,23)
InChIKeyXLWNKGDVAABTJD-UHFFFAOYSA-N
MW308.39 g/mol
LogP2.86
Rot. Bonds4

About N-[2-(1H-indol-3-yl)ethyl]-2,4,6-trimethylpyrimidine-5-carboxamide

N-[2-(1H-indol-3-yl)ethyl]-2,4,6-trimethylpyrimidine-5-carboxamide (PubChem CID 110853427) has the molecular formula C18H20N4O and a molecular weight of 308.39 g/mol. Its IUPAC name is N-[2-(1H-indol-3-yl)ethyl]-2,4,6-trimethylpyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-[2-(1H-indol-3-yl)ethyl]-2,4,6-trimethylpyrimidine-5-carboxamide
PubChem CID110853427
Molecular FormulaC18H20N4O
Molecular Weight308.39 g/mol
Exact Mass308.16
IUPAC NameN-[2-(1H-indol-3-yl)ethyl]-2,4,6-trimethylpyrimidine-5-carboxamide
SMILESCc1nc(C)c(C(=O)NCCc2c[nH]c3ccccc23)c(C)n1
InChIInChI=1S/C18H20N4O/c1-11-17(12(2)22-13(3)21-11)18(23)19-9-8-14-10-20-16-7-5-4-6-15(14)16/h4-7,10,20H,8-9H2,1-3H3,(H,19,23)
InChIKeyXLWNKGDVAABTJD-UHFFFAOYSA-N
XLogP2.86
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.39
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-N,4-N-bis[2-(1H-indol-3-yl)ethyl]benzene-1,4-dicarboxamide
CID 42988811
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]-4-methyl-1,3-thiazole-2-carboxamide
CID 110696129
N-[2-(1H-indol-3-yl)ethyl]-2,5-dimethyl-1H-pyrrole-3-carboxamide
CID 110766157
N-[2-(1H-indol-3-yl)ethyl]-2-methyl-1H-pyrrole-3-carboxamide
CID 110695717
6-(2,6-dimethylanilino)-N-[2-(1H-indol-3-yl)ethyl]-2-methylpyrimidine-4-carboxamide
CID 109372724
6-chloro-N-[2-(1H-indol-3-yl)ethyl]-2-methylquinoline-3-carboxamide
CID 41359467
N-[2-(1H-indol-3-yl)ethyl]-1-methyl-5-oxo-4H-1,2,4-triazole-3-carboxamide
CID 136849781
N-[2-(1H-indol-3-yl)ethyl]-1-methyltriazole-4-carboxamide
CID 45497188
N-[2-(1H-indol-3-yl)ethyl]-1H-pyrrole-2-carboxamide
CID 51210971
6-N-[2-(dimethylamino)ethyl]-2-N-[2-(1H-indol-3-yl)ethyl]pyridine-2,6-dicarboxamide
CID 109096308

Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-indol-3-yl)ethyl]-2,4,6-trimethylpyrimidine-5-carboxamide?
The IUPAC name of N-[2-(1H-indol-3-yl)ethyl]-2,4,6-trimethylpyrimidine-5-carboxamide (CID 110853427) is N-[2-(1H-indol-3-yl)ethyl]-2,4,6-trimethylpyrimidine-5-carboxamide.
What is the SMILES notation for N-[2-(1H-indol-3-yl)ethyl]-2,4,6-trimethylpyrimidine-5-carboxamide?
The canonical SMILES for N-[2-(1H-indol-3-yl)ethyl]-2,4,6-trimethylpyrimidine-5-carboxamide is Cc1nc(C)c(C(=O)NCCc2c[nH]c3ccccc23)c(C)n1.
What is the InChIKey of N-[2-(1H-indol-3-yl)ethyl]-2,4,6-trimethylpyrimidine-5-carboxamide?
The InChIKey is XLWNKGDVAABTJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O/c1-11-17(12(2)22-13(3)21-11)18(23)19-9-8-14-10-20-16-7-5-4-6-15(14)16/h4-7,10,20H,8-9H2,1-3H3,(H,19,23).
What are the key properties of N-[2-(1H-indol-3-yl)ethyl]-2,4,6-trimethylpyrimidine-5-carboxamide?
N-[2-(1H-indol-3-yl)ethyl]-2,4,6-trimethylpyrimidine-5-carboxamide has a molecular weight of 308.39 g/mol, XLogP of 2.86, 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]-2,4,6-trimethylpyrimidine-5-carboxamide is sourced from PubChem (CID 110853427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).