N,3,4,7-tetramethyl-N-[(4-propyl-1,2,4-triazol-3-yl)methyl]-1H-indole-2-carboxamide

C19H25N5O — CID 70757118

IUPACN,3,4,7-tetramethyl-N-[(4-propyl-1,2,4-triazol-3-yl)methyl]-1H-indole-2-carboxamide
SMILESCCCn1cnnc1CN(C)C(=O)c1[nH]c2c(C)ccc(C)c2c1C
InChIInChI=1S/C19H25N5O/c1-6-9-24-11-20-22-15(24)10-23(5)19(25)18-14(4)16-12(2)7-8-13(3)17(16)21-18/h7-8,11,21H,6,9-10H2,1-5H3
InChIKeyZOFDNJGLBVLWMM-UHFFFAOYSA-N
MW339.44 g/mol
LogP3.37
Rot. Bonds5

About N,3,4,7-tetramethyl-N-[(4-propyl-1,2,4-triazol-3-yl)methyl]-1H-indole-2-carboxamide

N,3,4,7-tetramethyl-N-[(4-propyl-1,2,4-triazol-3-yl)methyl]-1H-indole-2-carboxamide (PubChem CID 70757118) has the molecular formula C19H25N5O and a molecular weight of 339.44 g/mol. Its IUPAC name is N,3,4,7-tetramethyl-N-[(4-propyl-1,2,4-triazol-3-yl)methyl]-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN,3,4,7-tetramethyl-N-[(4-propyl-1,2,4-triazol-3-yl)methyl]-1H-indole-2-carboxamide
PubChem CID70757118
Molecular FormulaC19H25N5O
Molecular Weight339.44 g/mol
Exact Mass339.21
IUPAC NameN,3,4,7-tetramethyl-N-[(4-propyl-1,2,4-triazol-3-yl)methyl]-1H-indole-2-carboxamide
SMILESCCCn1cnnc1CN(C)C(=O)c1[nH]c2c(C)ccc(C)c2c1C
InChIInChI=1S/C19H25N5O/c1-6-9-24-11-20-22-15(24)10-23(5)19(25)18-14(4)16-12(2)7-8-13(3)17(16)21-18/h7-8,11,21H,6,9-10H2,1-5H3
InChIKeyZOFDNJGLBVLWMM-UHFFFAOYSA-N
XLogP3.37
TPSA66.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,3,4,7-tetramethyl-N-[(4-propyl-1,2,4-triazol-3-yl)methyl]-1H-indole-2-carboxamide?
The IUPAC name of N,3,4,7-tetramethyl-N-[(4-propyl-1,2,4-triazol-3-yl)methyl]-1H-indole-2-carboxamide (CID 70757118) is N,3,4,7-tetramethyl-N-[(4-propyl-1,2,4-triazol-3-yl)methyl]-1H-indole-2-carboxamide.
What is the SMILES notation for N,3,4,7-tetramethyl-N-[(4-propyl-1,2,4-triazol-3-yl)methyl]-1H-indole-2-carboxamide?
The canonical SMILES for N,3,4,7-tetramethyl-N-[(4-propyl-1,2,4-triazol-3-yl)methyl]-1H-indole-2-carboxamide is CCCn1cnnc1CN(C)C(=O)c1[nH]c2c(C)ccc(C)c2c1C.
What is the InChIKey of N,3,4,7-tetramethyl-N-[(4-propyl-1,2,4-triazol-3-yl)methyl]-1H-indole-2-carboxamide?
The InChIKey is ZOFDNJGLBVLWMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O/c1-6-9-24-11-20-22-15(24)10-23(5)19(25)18-14(4)16-12(2)7-8-13(3)17(16)21-18/h7-8,11,21H,6,9-10H2,1-5H3.
What are the key properties of N,3,4,7-tetramethyl-N-[(4-propyl-1,2,4-triazol-3-yl)methyl]-1H-indole-2-carboxamide?
N,3,4,7-tetramethyl-N-[(4-propyl-1,2,4-triazol-3-yl)methyl]-1H-indole-2-carboxamide has a molecular weight of 339.44 g/mol, XLogP of 3.37, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,3,4,7-tetramethyl-N-[(4-propyl-1,2,4-triazol-3-yl)methyl]-1H-indole-2-carboxamide is sourced from PubChem (CID 70757118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).