2-methyl-N-[[2-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-1,3-thiazol-5-yl]methyl]pyridine-4-carboxamide

C26H23N3O3S — CID 91754804

IUPAC2-methyl-N-[[2-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-1,3-thiazol-5-yl]methyl]pyridine-4-carboxamide
SMILESCc1cc(C(=O)NCc2cnc(Oc3ccc4c(c3)CCC(c3ccccc3)O4)s2)ccn1
InChIInChI=1S/C26H23N3O3S/c1-17-13-20(11-12-27-17)25(30)28-15-22-16-29-26(33-22)31-21-8-10-24-19(14-21)7-9-23(32-24)18-5-3-2-4-6-18/h2-6,8,10-14,16,23H,7,9,15H2,1H3,(H,28,30)
InChIKeyYQBQNCJOZWWOLV-UHFFFAOYSA-N
MW457.56 g/mol
LogP5.64
Rot. Bonds6

About 2-methyl-N-[[2-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-1,3-thiazol-5-yl]methyl]pyridine-4-carboxamide

2-methyl-N-[[2-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-1,3-thiazol-5-yl]methyl]pyridine-4-carboxamide (PubChem CID 91754804) has the molecular formula C26H23N3O3S and a molecular weight of 457.56 g/mol. Its IUPAC name is 2-methyl-N-[[2-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-1,3-thiazol-5-yl]methyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-methyl-N-[[2-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-1,3-thiazol-5-yl]methyl]pyridine-4-carboxamide
PubChem CID91754804
Molecular FormulaC26H23N3O3S
Molecular Weight457.56 g/mol
Exact Mass457.15
IUPAC Name2-methyl-N-[[2-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-1,3-thiazol-5-yl]methyl]pyridine-4-carboxamide
SMILESCc1cc(C(=O)NCc2cnc(Oc3ccc4c(c3)CCC(c3ccccc3)O4)s2)ccn1
InChIInChI=1S/C26H23N3O3S/c1-17-13-20(11-12-27-17)25(30)28-15-22-16-29-26(33-22)31-21-8-10-24-19(14-21)7-9-23(32-24)18-5-3-2-4-6-18/h2-6,8,10-14,16,23H,7,9,15H2,1H3,(H,28,30)
InChIKeyYQBQNCJOZWWOLV-UHFFFAOYSA-N
XLogP5.64
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500457.56
LogP ≤ 55.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[2-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-1,3-thiazol-5-yl]methyl]pyridine-4-carboxamide?
The IUPAC name of 2-methyl-N-[[2-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-1,3-thiazol-5-yl]methyl]pyridine-4-carboxamide (CID 91754804) is 2-methyl-N-[[2-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-1,3-thiazol-5-yl]methyl]pyridine-4-carboxamide.
What is the SMILES notation for 2-methyl-N-[[2-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-1,3-thiazol-5-yl]methyl]pyridine-4-carboxamide?
The canonical SMILES for 2-methyl-N-[[2-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-1,3-thiazol-5-yl]methyl]pyridine-4-carboxamide is Cc1cc(C(=O)NCc2cnc(Oc3ccc4c(c3)CCC(c3ccccc3)O4)s2)ccn1.
What is the InChIKey of 2-methyl-N-[[2-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-1,3-thiazol-5-yl]methyl]pyridine-4-carboxamide?
The InChIKey is YQBQNCJOZWWOLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N3O3S/c1-17-13-20(11-12-27-17)25(30)28-15-22-16-29-26(33-22)31-21-8-10-24-19(14-21)7-9-23(32-24)18-5-3-2-4-6-18/h2-6,8,10-14,16,23H,7,9,15H2,1H3,(H,28,30).
What are the key properties of 2-methyl-N-[[2-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-1,3-thiazol-5-yl]methyl]pyridine-4-carboxamide?
2-methyl-N-[[2-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-1,3-thiazol-5-yl]methyl]pyridine-4-carboxamide has a molecular weight of 457.56 g/mol, XLogP of 5.64, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[2-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-1,3-thiazol-5-yl]methyl]pyridine-4-carboxamide is sourced from PubChem (CID 91754804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).