N-[2-(2,2-dimethylpropanoyl)indolizin-6-yl]-1-(2-methoxyethyl)triazole-4-carboxamide

C19H23N5O3 — CID 130464671

IUPACN-[2-(2,2-dimethylpropanoyl)indolizin-6-yl]-1-(2-methoxyethyl)triazole-4-carboxamide
SMILESCOCCn1cc(C(=O)Nc2ccc3cc(C(=O)C(C)(C)C)cn3c2)nn1
InChIInChI=1S/C19H23N5O3/c1-19(2,3)17(25)13-9-15-6-5-14(11-23(15)10-13)20-18(26)16-12-24(22-21-16)7-8-27-4/h5-6,9-12H,7-8H2,1-4H3,(H,20,26)
InChIKeyHYRVTGXDRIYDTG-UHFFFAOYSA-N
MW369.43 g/mol
LogP2.66
Rot. Bonds6

About N-[2-(2,2-dimethylpropanoyl)indolizin-6-yl]-1-(2-methoxyethyl)triazole-4-carboxamide

N-[2-(2,2-dimethylpropanoyl)indolizin-6-yl]-1-(2-methoxyethyl)triazole-4-carboxamide (PubChem CID 130464671) has the molecular formula C19H23N5O3 and a molecular weight of 369.43 g/mol. Its IUPAC name is N-[2-(2,2-dimethylpropanoyl)indolizin-6-yl]-1-(2-methoxyethyl)triazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-(2,2-dimethylpropanoyl)indolizin-6-yl]-1-(2-methoxyethyl)triazole-4-carboxamide
PubChem CID130464671
Molecular FormulaC19H23N5O3
Molecular Weight369.43 g/mol
Exact Mass369.18
IUPAC NameN-[2-(2,2-dimethylpropanoyl)indolizin-6-yl]-1-(2-methoxyethyl)triazole-4-carboxamide
SMILESCOCCn1cc(C(=O)Nc2ccc3cc(C(=O)C(C)(C)C)cn3c2)nn1
InChIInChI=1S/C19H23N5O3/c1-19(2,3)17(25)13-9-15-6-5-14(11-23(15)10-13)20-18(26)16-12-24(22-21-16)7-8-27-4/h5-6,9-12H,7-8H2,1-4H3,(H,20,26)
InChIKeyHYRVTGXDRIYDTG-UHFFFAOYSA-N
XLogP2.66
TPSA90.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.43
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2,2-dimethylpropanoyl)indolizin-6-yl]-1-(2-methoxyethyl)triazole-4-carboxamide?
The IUPAC name of N-[2-(2,2-dimethylpropanoyl)indolizin-6-yl]-1-(2-methoxyethyl)triazole-4-carboxamide (CID 130464671) is N-[2-(2,2-dimethylpropanoyl)indolizin-6-yl]-1-(2-methoxyethyl)triazole-4-carboxamide.
What is the SMILES notation for N-[2-(2,2-dimethylpropanoyl)indolizin-6-yl]-1-(2-methoxyethyl)triazole-4-carboxamide?
The canonical SMILES for N-[2-(2,2-dimethylpropanoyl)indolizin-6-yl]-1-(2-methoxyethyl)triazole-4-carboxamide is COCCn1cc(C(=O)Nc2ccc3cc(C(=O)C(C)(C)C)cn3c2)nn1.
What is the InChIKey of N-[2-(2,2-dimethylpropanoyl)indolizin-6-yl]-1-(2-methoxyethyl)triazole-4-carboxamide?
The InChIKey is HYRVTGXDRIYDTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O3/c1-19(2,3)17(25)13-9-15-6-5-14(11-23(15)10-13)20-18(26)16-12-24(22-21-16)7-8-27-4/h5-6,9-12H,7-8H2,1-4H3,(H,20,26).
What are the key properties of N-[2-(2,2-dimethylpropanoyl)indolizin-6-yl]-1-(2-methoxyethyl)triazole-4-carboxamide?
N-[2-(2,2-dimethylpropanoyl)indolizin-6-yl]-1-(2-methoxyethyl)triazole-4-carboxamide has a molecular weight of 369.43 g/mol, XLogP of 2.66, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,2-dimethylpropanoyl)indolizin-6-yl]-1-(2-methoxyethyl)triazole-4-carboxamide is sourced from PubChem (CID 130464671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).