6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(2,3,4-trifluorophenyl)pyridine-3-carboxamide

C19H18F3N3O3 — CID 109160028

IUPAC6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(2,3,4-trifluorophenyl)pyridine-3-carboxamide
SMILESO=C(Nc1ccc(F)c(F)c1F)c1ccc(N2CCC3(CC2)OCCO3)nc1
InChIInChI=1S/C19H18F3N3O3/c20-13-2-3-14(17(22)16(13)21)24-18(26)12-1-4-15(23-11-12)25-7-5-19(6-8-25)27-9-10-28-19/h1-4,11H,5-10H2,(H,24,26)
InChIKeyVQKRWLSMTCHHKK-UHFFFAOYSA-N
MW393.37 g/mol
LogP3.09
Rot. Bonds3

About 6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(2,3,4-trifluorophenyl)pyridine-3-carboxamide

6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(2,3,4-trifluorophenyl)pyridine-3-carboxamide (PubChem CID 109160028) has the molecular formula C19H18F3N3O3 and a molecular weight of 393.37 g/mol. Its IUPAC name is 6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(2,3,4-trifluorophenyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(2,3,4-trifluorophenyl)pyridine-3-carboxamide
PubChem CID109160028
Molecular FormulaC19H18F3N3O3
Molecular Weight393.37 g/mol
Exact Mass393.13
IUPAC Name6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(2,3,4-trifluorophenyl)pyridine-3-carboxamide
SMILESO=C(Nc1ccc(F)c(F)c1F)c1ccc(N2CCC3(CC2)OCCO3)nc1
InChIInChI=1S/C19H18F3N3O3/c20-13-2-3-14(17(22)16(13)21)24-18(26)12-1-4-15(23-11-12)25-7-5-19(6-8-25)27-9-10-28-19/h1-4,11H,5-10H2,(H,24,26)
InChIKeyVQKRWLSMTCHHKK-UHFFFAOYSA-N
XLogP3.09
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.37
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

4-chloro-N-[6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-pyridinyl]benzamide
CID 113014074
N-(3-chlorophenyl)-6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyridine-3-carboxamide
CID 109159992
6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(2-methoxy-5-methylphenyl)pyridine-3-carboxamide
CID 109160004
6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(4-propan-2-ylphenyl)pyridine-3-carboxamide
CID 109159983
methyl 3-[[6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyridine-3-carbonyl]amino]benzoate
CID 109160015
2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(2-fluorophenyl)pyrimidine-5-carboxamide
CID 109261676
N-(2,4-difluorophenyl)-5-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyrazine-2-carboxamide
CID 109286094
6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(2-methyl-6-propan-2-ylphenyl)pyridine-3-carboxamide
CID 109159986
N-[6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-pyridinyl]acetamide
CID 113014035
6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(2-phenylethyl)pyridine-3-carboxamide
CID 109158294
5-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(2,3,4-trifluorophenyl)-1,2,4-triazin-3-amine
CID 112956574
N-(4-chloro-2-methylphenyl)-6-morpholin-4-ylpyridine-3-carboxamide
CID 34232545

Frequently Asked Questions

What is the IUPAC name of 6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(2,3,4-trifluorophenyl)pyridine-3-carboxamide?
The IUPAC name of 6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(2,3,4-trifluorophenyl)pyridine-3-carboxamide (CID 109160028) is 6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(2,3,4-trifluorophenyl)pyridine-3-carboxamide.
What is the SMILES notation for 6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(2,3,4-trifluorophenyl)pyridine-3-carboxamide?
The canonical SMILES for 6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(2,3,4-trifluorophenyl)pyridine-3-carboxamide is O=C(Nc1ccc(F)c(F)c1F)c1ccc(N2CCC3(CC2)OCCO3)nc1.
What is the InChIKey of 6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(2,3,4-trifluorophenyl)pyridine-3-carboxamide?
The InChIKey is VQKRWLSMTCHHKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F3N3O3/c20-13-2-3-14(17(22)16(13)21)24-18(26)12-1-4-15(23-11-12)25-7-5-19(6-8-25)27-9-10-28-19/h1-4,11H,5-10H2,(H,24,26).
What are the key properties of 6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(2,3,4-trifluorophenyl)pyridine-3-carboxamide?
6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(2,3,4-trifluorophenyl)pyridine-3-carboxamide has a molecular weight of 393.37 g/mol, XLogP of 3.09, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(2,3,4-trifluorophenyl)pyridine-3-carboxamide is sourced from PubChem (CID 109160028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).