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

C24H23N5O2S — CID 121397697

IUPACN-[(1R)-1-(5-methylpyrazin-2-yl)ethyl]-3-[(2-methyl-4-pyridinyl)oxy]-5-(5-methyl-1,3-thiazol-2-yl)benzamide
SMILESCc1cnc([C@@H](C)NC(=O)c2cc(Oc3ccnc(C)c3)cc(-c3ncc(C)s3)c2)cn1
InChIInChI=1S/C24H23N5O2S/c1-14-7-20(5-6-25-14)31-21-9-18(8-19(10-21)24-28-12-16(3)32-24)23(30)29-17(4)22-13-26-15(2)11-27-22/h5-13,17H,1-4H3,(H,29,30)/t17-/m1/s1
InChIKeyQEKNBUCJINMCOL-QGZVFWFLSA-N
MW445.55 g/mol
LogP5.20
Rot. Bonds6

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

N-[(1R)-1-(5-methylpyrazin-2-yl)ethyl]-3-[(2-methyl-4-pyridinyl)oxy]-5-(5-methyl-1,3-thiazol-2-yl)benzamide (PubChem CID 121397697) has the molecular formula C24H23N5O2S and a molecular weight of 445.55 g/mol. Its IUPAC name is N-[(1R)-1-(5-methylpyrazin-2-yl)ethyl]-3-[(2-methyl-4-pyridinyl)oxy]-5-(5-methyl-1,3-thiazol-2-yl)benzamide.

Molecular Properties

Compound NameN-[(1R)-1-(5-methylpyrazin-2-yl)ethyl]-3-[(2-methyl-4-pyridinyl)oxy]-5-(5-methyl-1,3-thiazol-2-yl)benzamide
PubChem CID121397697
Molecular FormulaC24H23N5O2S
Molecular Weight445.55 g/mol
Exact Mass445.16
IUPAC NameN-[(1R)-1-(5-methylpyrazin-2-yl)ethyl]-3-[(2-methyl-4-pyridinyl)oxy]-5-(5-methyl-1,3-thiazol-2-yl)benzamide
SMILESCc1cnc([C@@H](C)NC(=O)c2cc(Oc3ccnc(C)c3)cc(-c3ncc(C)s3)c2)cn1
InChIInChI=1S/C24H23N5O2S/c1-14-7-20(5-6-25-14)31-21-9-18(8-19(10-21)24-28-12-16(3)32-24)23(30)29-17(4)22-13-26-15(2)11-27-22/h5-13,17H,1-4H3,(H,29,30)/t17-/m1/s1
InChIKeyQEKNBUCJINMCOL-QGZVFWFLSA-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 N-[(1R)-1-(5-methylpyrazin-2-yl)ethyl]-3-[(2-methyl-4-pyridinyl)oxy]-5-(5-methyl-1,3-thiazol-2-yl)benzamide?
The IUPAC name of N-[(1R)-1-(5-methylpyrazin-2-yl)ethyl]-3-[(2-methyl-4-pyridinyl)oxy]-5-(5-methyl-1,3-thiazol-2-yl)benzamide (CID 121397697) is N-[(1R)-1-(5-methylpyrazin-2-yl)ethyl]-3-[(2-methyl-4-pyridinyl)oxy]-5-(5-methyl-1,3-thiazol-2-yl)benzamide.
What is the SMILES notation for N-[(1R)-1-(5-methylpyrazin-2-yl)ethyl]-3-[(2-methyl-4-pyridinyl)oxy]-5-(5-methyl-1,3-thiazol-2-yl)benzamide?
The canonical SMILES for N-[(1R)-1-(5-methylpyrazin-2-yl)ethyl]-3-[(2-methyl-4-pyridinyl)oxy]-5-(5-methyl-1,3-thiazol-2-yl)benzamide is Cc1cnc([C@@H](C)NC(=O)c2cc(Oc3ccnc(C)c3)cc(-c3ncc(C)s3)c2)cn1.
What is the InChIKey of N-[(1R)-1-(5-methylpyrazin-2-yl)ethyl]-3-[(2-methyl-4-pyridinyl)oxy]-5-(5-methyl-1,3-thiazol-2-yl)benzamide?
The InChIKey is QEKNBUCJINMCOL-QGZVFWFLSA-N. The full InChI is InChI=1S/C24H23N5O2S/c1-14-7-20(5-6-25-14)31-21-9-18(8-19(10-21)24-28-12-16(3)32-24)23(30)29-17(4)22-13-26-15(2)11-27-22/h5-13,17H,1-4H3,(H,29,30)/t17-/m1/s1.
What are the key properties of N-[(1R)-1-(5-methylpyrazin-2-yl)ethyl]-3-[(2-methyl-4-pyridinyl)oxy]-5-(5-methyl-1,3-thiazol-2-yl)benzamide?
N-[(1R)-1-(5-methylpyrazin-2-yl)ethyl]-3-[(2-methyl-4-pyridinyl)oxy]-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 N-[(1R)-1-(5-methylpyrazin-2-yl)ethyl]-3-[(2-methyl-4-pyridinyl)oxy]-5-(5-methyl-1,3-thiazol-2-yl)benzamide is sourced from PubChem (CID 121397697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).