3-[(2-methyl-4-pyridinyl)oxy]-N-[(1R)-1-(2-methylpyrimidin-5-yl)ethyl]-5-(5-methyl-1,3-thiazol-2-yl)benzamide

C24H23N5O2S — CID 121397227

IUPAC3-[(2-methyl-4-pyridinyl)oxy]-N-[(1R)-1-(2-methylpyrimidin-5-yl)ethyl]-5-(5-methyl-1,3-thiazol-2-yl)benzamide
SMILESCc1cc(Oc2cc(C(=O)N[C@H](C)c3cnc(C)nc3)cc(-c3ncc(C)s3)c2)ccn1
InChIInChI=1S/C24H23N5O2S/c1-14-7-21(5-6-25-14)31-22-9-18(8-19(10-22)24-28-11-15(2)32-24)23(30)29-16(3)20-12-26-17(4)27-13-20/h5-13,16H,1-4H3,(H,29,30)/t16-/m1/s1
InChIKeyAVOXIOANORGYFZ-MRXNPFEDSA-N
MW445.55 g/mol
LogP5.20
Rot. Bonds6

About 3-[(2-methyl-4-pyridinyl)oxy]-N-[(1R)-1-(2-methylpyrimidin-5-yl)ethyl]-5-(5-methyl-1,3-thiazol-2-yl)benzamide

3-[(2-methyl-4-pyridinyl)oxy]-N-[(1R)-1-(2-methylpyrimidin-5-yl)ethyl]-5-(5-methyl-1,3-thiazol-2-yl)benzamide (PubChem CID 121397227) has the molecular formula C24H23N5O2S and a molecular weight of 445.55 g/mol. Its IUPAC name is 3-[(2-methyl-4-pyridinyl)oxy]-N-[(1R)-1-(2-methylpyrimidin-5-yl)ethyl]-5-(5-methyl-1,3-thiazol-2-yl)benzamide.

Molecular Properties

Compound Name3-[(2-methyl-4-pyridinyl)oxy]-N-[(1R)-1-(2-methylpyrimidin-5-yl)ethyl]-5-(5-methyl-1,3-thiazol-2-yl)benzamide
PubChem CID121397227
Molecular FormulaC24H23N5O2S
Molecular Weight445.55 g/mol
Exact Mass445.16
IUPAC Name3-[(2-methyl-4-pyridinyl)oxy]-N-[(1R)-1-(2-methylpyrimidin-5-yl)ethyl]-5-(5-methyl-1,3-thiazol-2-yl)benzamide
SMILESCc1cc(Oc2cc(C(=O)N[C@H](C)c3cnc(C)nc3)cc(-c3ncc(C)s3)c2)ccn1
InChIInChI=1S/C24H23N5O2S/c1-14-7-21(5-6-25-14)31-22-9-18(8-19(10-22)24-28-11-15(2)32-24)23(30)29-16(3)20-12-26-17(4)27-13-20/h5-13,16H,1-4H3,(H,29,30)/t16-/m1/s1
InChIKeyAVOXIOANORGYFZ-MRXNPFEDSA-N
XLogP5.20
TPSA89.89 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500445.55
LogP ≤ 55.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[(2-methyl-4-pyridinyl)oxy]-N-[(1R)-1-(2-methylpyrimidin-5-yl)ethyl]-5-(5-methyl-1,3-thiazol-2-yl)benzamide?
The IUPAC name of 3-[(2-methyl-4-pyridinyl)oxy]-N-[(1R)-1-(2-methylpyrimidin-5-yl)ethyl]-5-(5-methyl-1,3-thiazol-2-yl)benzamide (CID 121397227) is 3-[(2-methyl-4-pyridinyl)oxy]-N-[(1R)-1-(2-methylpyrimidin-5-yl)ethyl]-5-(5-methyl-1,3-thiazol-2-yl)benzamide.
What is the SMILES notation for 3-[(2-methyl-4-pyridinyl)oxy]-N-[(1R)-1-(2-methylpyrimidin-5-yl)ethyl]-5-(5-methyl-1,3-thiazol-2-yl)benzamide?
The canonical SMILES for 3-[(2-methyl-4-pyridinyl)oxy]-N-[(1R)-1-(2-methylpyrimidin-5-yl)ethyl]-5-(5-methyl-1,3-thiazol-2-yl)benzamide is Cc1cc(Oc2cc(C(=O)N[C@H](C)c3cnc(C)nc3)cc(-c3ncc(C)s3)c2)ccn1.
What is the InChIKey of 3-[(2-methyl-4-pyridinyl)oxy]-N-[(1R)-1-(2-methylpyrimidin-5-yl)ethyl]-5-(5-methyl-1,3-thiazol-2-yl)benzamide?
The InChIKey is AVOXIOANORGYFZ-MRXNPFEDSA-N. The full InChI is InChI=1S/C24H23N5O2S/c1-14-7-21(5-6-25-14)31-22-9-18(8-19(10-22)24-28-11-15(2)32-24)23(30)29-16(3)20-12-26-17(4)27-13-20/h5-13,16H,1-4H3,(H,29,30)/t16-/m1/s1.
What are the key properties of 3-[(2-methyl-4-pyridinyl)oxy]-N-[(1R)-1-(2-methylpyrimidin-5-yl)ethyl]-5-(5-methyl-1,3-thiazol-2-yl)benzamide?
3-[(2-methyl-4-pyridinyl)oxy]-N-[(1R)-1-(2-methylpyrimidin-5-yl)ethyl]-5-(5-methyl-1,3-thiazol-2-yl)benzamide has a molecular weight of 445.55 g/mol, XLogP of 5.20, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-methyl-4-pyridinyl)oxy]-N-[(1R)-1-(2-methylpyrimidin-5-yl)ethyl]-5-(5-methyl-1,3-thiazol-2-yl)benzamide is sourced from PubChem (CID 121397227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).