N-[1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]-3,5,7-trimethyl-1H-indole-2-carboxamide

C19H25N5O2 — CID 70750851

IUPACN-[1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]-3,5,7-trimethyl-1H-indole-2-carboxamide
SMILESCOCCn1cnnc1C(C)NC(=O)c1[nH]c2c(C)cc(C)cc2c1C
InChIInChI=1S/C19H25N5O2/c1-11-8-12(2)16-15(9-11)13(3)17(22-16)19(25)21-14(4)18-23-20-10-24(18)6-7-26-5/h8-10,14,22H,6-7H2,1-5H3,(H,21,25)
InChIKeyBAPPDFUVQQRJFO-UHFFFAOYSA-N
MW355.44 g/mol
LogP2.82
Rot. Bonds6

About N-[1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]-3,5,7-trimethyl-1H-indole-2-carboxamide

N-[1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]-3,5,7-trimethyl-1H-indole-2-carboxamide (PubChem CID 70750851) has the molecular formula C19H25N5O2 and a molecular weight of 355.44 g/mol. Its IUPAC name is N-[1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]-3,5,7-trimethyl-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-[1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]-3,5,7-trimethyl-1H-indole-2-carboxamide
PubChem CID70750851
Molecular FormulaC19H25N5O2
Molecular Weight355.44 g/mol
Exact Mass355.20
IUPAC NameN-[1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]-3,5,7-trimethyl-1H-indole-2-carboxamide
SMILESCOCCn1cnnc1C(C)NC(=O)c1[nH]c2c(C)cc(C)cc2c1C
InChIInChI=1S/C19H25N5O2/c1-11-8-12(2)16-15(9-11)13(3)17(22-16)19(25)21-14(4)18-23-20-10-24(18)6-7-26-5/h8-10,14,22H,6-7H2,1-5H3,(H,21,25)
InChIKeyBAPPDFUVQQRJFO-UHFFFAOYSA-N
XLogP2.82
TPSA84.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]-3,5,7-trimethyl-1H-indole-2-carboxamide?
The IUPAC name of N-[1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]-3,5,7-trimethyl-1H-indole-2-carboxamide (CID 70750851) is N-[1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]-3,5,7-trimethyl-1H-indole-2-carboxamide.
What is the SMILES notation for N-[1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]-3,5,7-trimethyl-1H-indole-2-carboxamide?
The canonical SMILES for N-[1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]-3,5,7-trimethyl-1H-indole-2-carboxamide is COCCn1cnnc1C(C)NC(=O)c1[nH]c2c(C)cc(C)cc2c1C.
What is the InChIKey of N-[1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]-3,5,7-trimethyl-1H-indole-2-carboxamide?
The InChIKey is BAPPDFUVQQRJFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O2/c1-11-8-12(2)16-15(9-11)13(3)17(22-16)19(25)21-14(4)18-23-20-10-24(18)6-7-26-5/h8-10,14,22H,6-7H2,1-5H3,(H,21,25).
What are the key properties of N-[1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]-3,5,7-trimethyl-1H-indole-2-carboxamide?
N-[1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]-3,5,7-trimethyl-1H-indole-2-carboxamide has a molecular weight of 355.44 g/mol, XLogP of 2.82, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]-3,5,7-trimethyl-1H-indole-2-carboxamide is sourced from PubChem (CID 70750851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).