N-ethyl-N-(2-hydroxyethyl)-3-[6-(trifluoromethyl)-2-pyridinyl]indolizine-2-carboxamide

C19H18F3N3O2 — CID 71460584

IUPACN-ethyl-N-(2-hydroxyethyl)-3-[6-(trifluoromethyl)-2-pyridinyl]indolizine-2-carboxamide
SMILESCCN(CCO)C(=O)c1cc2ccccn2c1-c1cccc(C(F)(F)F)n1
InChIInChI=1S/C19H18F3N3O2/c1-2-24(10-11-26)18(27)14-12-13-6-3-4-9-25(13)17(14)15-7-5-8-16(23-15)19(20,21)22/h3-9,12,26H,2,10-11H2,1H3
InChIKeyBUQZZMPYKSSLSV-UHFFFAOYSA-N
MW377.37 g/mol
LogP3.47
Rot. Bonds5

About N-ethyl-N-(2-hydroxyethyl)-3-[6-(trifluoromethyl)-2-pyridinyl]indolizine-2-carboxamide

N-ethyl-N-(2-hydroxyethyl)-3-[6-(trifluoromethyl)-2-pyridinyl]indolizine-2-carboxamide (PubChem CID 71460584) has the molecular formula C19H18F3N3O2 and a molecular weight of 377.37 g/mol. Its IUPAC name is N-ethyl-N-(2-hydroxyethyl)-3-[6-(trifluoromethyl)-2-pyridinyl]indolizine-2-carboxamide.

Molecular Properties

Compound NameN-ethyl-N-(2-hydroxyethyl)-3-[6-(trifluoromethyl)-2-pyridinyl]indolizine-2-carboxamide
PubChem CID71460584
Molecular FormulaC19H18F3N3O2
Molecular Weight377.37 g/mol
Exact Mass377.14
IUPAC NameN-ethyl-N-(2-hydroxyethyl)-3-[6-(trifluoromethyl)-2-pyridinyl]indolizine-2-carboxamide
SMILESCCN(CCO)C(=O)c1cc2ccccn2c1-c1cccc(C(F)(F)F)n1
InChIInChI=1S/C19H18F3N3O2/c1-2-24(10-11-26)18(27)14-12-13-6-3-4-9-25(13)17(14)15-7-5-8-16(23-15)19(20,21)22/h3-9,12,26H,2,10-11H2,1H3
InChIKeyBUQZZMPYKSSLSV-UHFFFAOYSA-N
XLogP3.47
TPSA57.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.37
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(2-hydroxyethyl)-3-[6-(trifluoromethyl)-2-pyridinyl]indolizine-2-carboxamide?
The IUPAC name of N-ethyl-N-(2-hydroxyethyl)-3-[6-(trifluoromethyl)-2-pyridinyl]indolizine-2-carboxamide (CID 71460584) is N-ethyl-N-(2-hydroxyethyl)-3-[6-(trifluoromethyl)-2-pyridinyl]indolizine-2-carboxamide.
What is the SMILES notation for N-ethyl-N-(2-hydroxyethyl)-3-[6-(trifluoromethyl)-2-pyridinyl]indolizine-2-carboxamide?
The canonical SMILES for N-ethyl-N-(2-hydroxyethyl)-3-[6-(trifluoromethyl)-2-pyridinyl]indolizine-2-carboxamide is CCN(CCO)C(=O)c1cc2ccccn2c1-c1cccc(C(F)(F)F)n1.
What is the InChIKey of N-ethyl-N-(2-hydroxyethyl)-3-[6-(trifluoromethyl)-2-pyridinyl]indolizine-2-carboxamide?
The InChIKey is BUQZZMPYKSSLSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F3N3O2/c1-2-24(10-11-26)18(27)14-12-13-6-3-4-9-25(13)17(14)15-7-5-8-16(23-15)19(20,21)22/h3-9,12,26H,2,10-11H2,1H3.
What are the key properties of N-ethyl-N-(2-hydroxyethyl)-3-[6-(trifluoromethyl)-2-pyridinyl]indolizine-2-carboxamide?
N-ethyl-N-(2-hydroxyethyl)-3-[6-(trifluoromethyl)-2-pyridinyl]indolizine-2-carboxamide has a molecular weight of 377.37 g/mol, XLogP of 3.47, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(2-hydroxyethyl)-3-[6-(trifluoromethyl)-2-pyridinyl]indolizine-2-carboxamide is sourced from PubChem (CID 71460584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).