6-[3-(4-hexa-1,3,5-trien-3-yloxy-6-methyl-2-pyridinyl)-3-oxopropyl]-4-pyridin-3-yloxy-N-[5-(trifluoromethyl)-2-pyridinyl]pyridine-2-carboxamide

C32H26F3N5O4 — CID 123429527

IUPAC6-[3-(4-hexa-1,3,5-trien-3-yloxy-6-methyl-2-pyridinyl)-3-oxopropyl]-4-pyridin-3-yloxy-N-[5-(trifluoromethyl)-2-pyridinyl]pyridine-2-carboxamide
SMILESC=CC=C(C=C)Oc1cc(C)nc(C(=O)CCc2cc(Oc3cccnc3)cc(C(=O)Nc3ccc(C(F)(F)F)cn3)n2)c1
InChIInChI=1S/C32H26F3N5O4/c1-4-7-23(5-2)43-25-14-20(3)38-27(16-25)29(41)11-10-22-15-26(44-24-8-6-13-36-19-24)17-28(39-22)31(42)40-30-12-9-21(18-37-30)32(33,34)35/h4-9,12-19H,1-2,10-11H2,3H3,(H,37,40,42)
InChIKeyLRSHLKOSUZKYGN-UHFFFAOYSA-N
MW601.59 g/mol
LogP7.09
Rot. Bonds12

About 6-[3-(4-hexa-1,3,5-trien-3-yloxy-6-methyl-2-pyridinyl)-3-oxopropyl]-4-pyridin-3-yloxy-N-[5-(trifluoromethyl)-2-pyridinyl]pyridine-2-carboxamide

6-[3-(4-hexa-1,3,5-trien-3-yloxy-6-methyl-2-pyridinyl)-3-oxopropyl]-4-pyridin-3-yloxy-N-[5-(trifluoromethyl)-2-pyridinyl]pyridine-2-carboxamide (PubChem CID 123429527) has the molecular formula C32H26F3N5O4 and a molecular weight of 601.59 g/mol. Its IUPAC name is 6-[3-(4-hexa-1,3,5-trien-3-yloxy-6-methyl-2-pyridinyl)-3-oxopropyl]-4-pyridin-3-yloxy-N-[5-(trifluoromethyl)-2-pyridinyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name6-[3-(4-hexa-1,3,5-trien-3-yloxy-6-methyl-2-pyridinyl)-3-oxopropyl]-4-pyridin-3-yloxy-N-[5-(trifluoromethyl)-2-pyridinyl]pyridine-2-carboxamide
PubChem CID123429527
Molecular FormulaC32H26F3N5O4
Molecular Weight601.59 g/mol
Exact Mass601.19
IUPAC Name6-[3-(4-hexa-1,3,5-trien-3-yloxy-6-methyl-2-pyridinyl)-3-oxopropyl]-4-pyridin-3-yloxy-N-[5-(trifluoromethyl)-2-pyridinyl]pyridine-2-carboxamide
SMILESC=CC=C(C=C)Oc1cc(C)nc(C(=O)CCc2cc(Oc3cccnc3)cc(C(=O)Nc3ccc(C(F)(F)F)cn3)n2)c1
InChIInChI=1S/C32H26F3N5O4/c1-4-7-23(5-2)43-25-14-20(3)38-27(16-25)29(41)11-10-22-15-26(44-24-8-6-13-36-19-24)17-28(39-22)31(42)40-30-12-9-21(18-37-30)32(33,34)35/h4-9,12-19H,1-2,10-11H2,3H3,(H,37,40,42)
InChIKeyLRSHLKOSUZKYGN-UHFFFAOYSA-N
XLogP7.09
TPSA116.19 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds12
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500601.59
LogP ≤ 57.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze 6-[3-(4-hexa-1,3,5-trien-3-yloxy-6-methyl-2-pyridinyl)-3-oxopropyl]-4-pyridin-3-yloxy-N-[5-(trifluoromethyl)-2-pyridinyl]pyridine-2-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

Auglurant
CID 60168069
4-[[4-[(5,6-dimethyl-2-pyridin-2-yl-3-pyridinyl)oxy]-2-pyridinyl]amino]-N,N-dimethylbenzamide
CID 44521025
2-PyridinecarboxaMide, N-(5-fluoro-2-pyridinyl)-4-[(5-fluoro-3-pyridinyl)oxy]-6-Methyl-
CID 60197821
(2-aminopyridin-3-yl)-[6-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-3-(2,2,2-trifluoroethoxy)pyridin-2-yl]methanone
CID 24994728
N-(6-methyl-2-pyridinyl)-3-pyridin-3-yloxybenzamide
CID 51033560
4-[(5-chloro-3-pyridinyl)oxy]-N-(5-fluoro-2-pyridinyl)-6-methylpyridine-2-carboxamide
CID 60196616
6-methyl-N-(6-methyl-2-pyridinyl)-4-pyrimidin-5-yloxypyridine-2-carboxamide
CID 60197614
N-(4-fluoro-2-pyridinyl)-6-methyl-4-pyrimidin-5-yloxypyridine-2-carboxamide
CID 60197712
N-(6-fluoro-2-pyridinyl)-6-methyl-4-pyrimidin-5-yloxypyridine-2-carboxamide
CID 60197713
N-(5-fluoro-2-pyridinyl)-6-methyl-4-(2-methylpyrimidin-5-yl)oxypyridine-2-carboxamide
CID 60197716
4-[(5-fluoro-3-pyridinyl)oxy]-6-methyl-N-(6-methyl-2-pyridinyl)pyridine-2-carboxamide
CID 60197822
N-(4-fluoro-2-pyridinyl)-4-[(5-fluoro-3-pyridinyl)oxy]-6-methylpyridine-2-carboxamide
CID 60197823

Frequently Asked Questions

What is the IUPAC name of 6-[3-(4-hexa-1,3,5-trien-3-yloxy-6-methyl-2-pyridinyl)-3-oxopropyl]-4-pyridin-3-yloxy-N-[5-(trifluoromethyl)-2-pyridinyl]pyridine-2-carboxamide?
The IUPAC name of 6-[3-(4-hexa-1,3,5-trien-3-yloxy-6-methyl-2-pyridinyl)-3-oxopropyl]-4-pyridin-3-yloxy-N-[5-(trifluoromethyl)-2-pyridinyl]pyridine-2-carboxamide (CID 123429527) is 6-[3-(4-hexa-1,3,5-trien-3-yloxy-6-methyl-2-pyridinyl)-3-oxopropyl]-4-pyridin-3-yloxy-N-[5-(trifluoromethyl)-2-pyridinyl]pyridine-2-carboxamide.
What is the SMILES notation for 6-[3-(4-hexa-1,3,5-trien-3-yloxy-6-methyl-2-pyridinyl)-3-oxopropyl]-4-pyridin-3-yloxy-N-[5-(trifluoromethyl)-2-pyridinyl]pyridine-2-carboxamide?
The canonical SMILES for 6-[3-(4-hexa-1,3,5-trien-3-yloxy-6-methyl-2-pyridinyl)-3-oxopropyl]-4-pyridin-3-yloxy-N-[5-(trifluoromethyl)-2-pyridinyl]pyridine-2-carboxamide is C=CC=C(C=C)Oc1cc(C)nc(C(=O)CCc2cc(Oc3cccnc3)cc(C(=O)Nc3ccc(C(F)(F)F)cn3)n2)c1.
What is the InChIKey of 6-[3-(4-hexa-1,3,5-trien-3-yloxy-6-methyl-2-pyridinyl)-3-oxopropyl]-4-pyridin-3-yloxy-N-[5-(trifluoromethyl)-2-pyridinyl]pyridine-2-carboxamide?
The InChIKey is LRSHLKOSUZKYGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H26F3N5O4/c1-4-7-23(5-2)43-25-14-20(3)38-27(16-25)29(41)11-10-22-15-26(44-24-8-6-13-36-19-24)17-28(39-22)31(42)40-30-12-9-21(18-37-30)32(33,34)35/h4-9,12-19H,1-2,10-11H2,3H3,(H,37,40,42).
What are the key properties of 6-[3-(4-hexa-1,3,5-trien-3-yloxy-6-methyl-2-pyridinyl)-3-oxopropyl]-4-pyridin-3-yloxy-N-[5-(trifluoromethyl)-2-pyridinyl]pyridine-2-carboxamide?
6-[3-(4-hexa-1,3,5-trien-3-yloxy-6-methyl-2-pyridinyl)-3-oxopropyl]-4-pyridin-3-yloxy-N-[5-(trifluoromethyl)-2-pyridinyl]pyridine-2-carboxamide has a molecular weight of 601.59 g/mol, XLogP of 7.09, 12 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(4-hexa-1,3,5-trien-3-yloxy-6-methyl-2-pyridinyl)-3-oxopropyl]-4-pyridin-3-yloxy-N-[5-(trifluoromethyl)-2-pyridinyl]pyridine-2-carboxamide is sourced from PubChem (CID 123429527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).