3-(diethylamino)-N-(3-methoxypropyl)indolizine-6-carboxamide;2,2,2-trifluoroacetic acid

C19H26F3N3O4 — CID 155845447

IUPAC3-(diethylamino)-N-(3-methoxypropyl)indolizine-6-carboxamide;2,2,2-trifluoroacetic acid
SMILESCCN(CC)c1ccc2ccc(C(=O)NCCCOC)cn12.O=C(O)C(F)(F)F
InChIInChI=1S/C17H25N3O2.C2HF3O2/c1-4-19(5-2)16-10-9-15-8-7-14(13-20(15)16)17(21)18-11-6-12-22-3;3-2(4,5)1(6)7/h7-10,13H,4-6,11-12H2,1-3H3,(H,18,21);(H,6,7)
InChIKeyZWDGUUZKCCZFHD-UHFFFAOYSA-N
MW417.43 g/mol
LogP3.19
Rot. Bonds8

About 3-(diethylamino)-N-(3-methoxypropyl)indolizine-6-carboxamide;2,2,2-trifluoroacetic acid

3-(diethylamino)-N-(3-methoxypropyl)indolizine-6-carboxamide;2,2,2-trifluoroacetic acid (PubChem CID 155845447) has the molecular formula C19H26F3N3O4 and a molecular weight of 417.43 g/mol. Its IUPAC name is 3-(diethylamino)-N-(3-methoxypropyl)indolizine-6-carboxamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name3-(diethylamino)-N-(3-methoxypropyl)indolizine-6-carboxamide;2,2,2-trifluoroacetic acid
PubChem CID155845447
Molecular FormulaC19H26F3N3O4
Molecular Weight417.43 g/mol
Exact Mass417.19
IUPAC Name3-(diethylamino)-N-(3-methoxypropyl)indolizine-6-carboxamide;2,2,2-trifluoroacetic acid
SMILESCCN(CC)c1ccc2ccc(C(=O)NCCCOC)cn12.O=C(O)C(F)(F)F
InChIInChI=1S/C17H25N3O2.C2HF3O2/c1-4-19(5-2)16-10-9-15-8-7-14(13-20(15)16)17(21)18-11-6-12-22-3;3-2(4,5)1(6)7/h7-10,13H,4-6,11-12H2,1-3H3,(H,18,21);(H,6,7)
InChIKeyZWDGUUZKCCZFHD-UHFFFAOYSA-N
XLogP3.19
TPSA83.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.43
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-(diethylamino)-N-(3-methoxypropyl)benzamide
CID 17310827
3-[benzyl(methyl)amino]-N-(2-methoxyethyl)indolizine-6-carboxamide
CID 97407088
3-[2-methoxyethyl(methyl)amino]-N-(2-pyridin-4-ylethyl)indolizine-6-carboxamide
CID 97441658
4-N-[(2-fluorophenyl)methyl]-1-N-(3-methoxypropyl)benzene-1,4-dicarboxamide
CID 109045263
4-[3-(2-methoxyethoxy)propylcarbamoyl]benzoic acid
CID 103790262
4-(ethylamino)-N-(3-methoxypropyl)benzamide
CID 62167523
3-chloro-4-fluoro-N-(3-methoxypropyl)benzamide
CID 110764723
N-(3-ethoxypropyl)-3-(4-methylpiperazin-1-yl)indolizine-6-carboxamide
CID 97362387
3-cyclopropyl-N-(3-methoxypropyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
CID 134797761
3-[2-methoxyethyl(methyl)amino]-N-[(5-methylfuran-2-yl)methyl]indolizine-6-carboxamide
CID 97441660
4-tert-butyl-N-[3-(2-methoxyethoxy)propyl]benzamide
CID 134028875
4-amino-3,5-difluoro-N-(3-methoxypropyl)benzamide
CID 63187415

Frequently Asked Questions

What is the IUPAC name of 3-(diethylamino)-N-(3-methoxypropyl)indolizine-6-carboxamide;2,2,2-trifluoroacetic acid?
The IUPAC name of 3-(diethylamino)-N-(3-methoxypropyl)indolizine-6-carboxamide;2,2,2-trifluoroacetic acid (CID 155845447) is 3-(diethylamino)-N-(3-methoxypropyl)indolizine-6-carboxamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 3-(diethylamino)-N-(3-methoxypropyl)indolizine-6-carboxamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for 3-(diethylamino)-N-(3-methoxypropyl)indolizine-6-carboxamide;2,2,2-trifluoroacetic acid is CCN(CC)c1ccc2ccc(C(=O)NCCCOC)cn12.O=C(O)C(F)(F)F.
What is the InChIKey of 3-(diethylamino)-N-(3-methoxypropyl)indolizine-6-carboxamide;2,2,2-trifluoroacetic acid?
The InChIKey is ZWDGUUZKCCZFHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O2.C2HF3O2/c1-4-19(5-2)16-10-9-15-8-7-14(13-20(15)16)17(21)18-11-6-12-22-3;3-2(4,5)1(6)7/h7-10,13H,4-6,11-12H2,1-3H3,(H,18,21);(H,6,7).
What are the key properties of 3-(diethylamino)-N-(3-methoxypropyl)indolizine-6-carboxamide;2,2,2-trifluoroacetic acid?
3-(diethylamino)-N-(3-methoxypropyl)indolizine-6-carboxamide;2,2,2-trifluoroacetic acid has a molecular weight of 417.43 g/mol, XLogP of 3.19, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(diethylamino)-N-(3-methoxypropyl)indolizine-6-carboxamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 155845447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).