N-[(1R)-1-(6-methyl-3-pyridinyl)ethyl]-3-[(2-methyl-4-pyridinyl)oxy]-5-(5-methyl-1,3-thiazol-2-yl)benzamide

C25H24N4O2S — CID 121397329

IUPACN-[(1R)-1-(6-methyl-3-pyridinyl)ethyl]-3-[(2-methyl-4-pyridinyl)oxy]-5-(5-methyl-1,3-thiazol-2-yl)benzamide
SMILESCc1ccc([C@@H](C)NC(=O)c2cc(Oc3ccnc(C)c3)cc(-c3ncc(C)s3)c2)cn1
InChIInChI=1S/C25H24N4O2S/c1-15-5-6-19(14-27-15)18(4)29-24(30)20-10-21(25-28-13-17(3)32-25)12-23(11-20)31-22-7-8-26-16(2)9-22/h5-14,18H,1-4H3,(H,29,30)/t18-/m1/s1
InChIKeyPNIOXTPFLIQKJT-GOSISDBHSA-N
MW444.56 g/mol
LogP5.81
Rot. Bonds6

About N-[(1R)-1-(6-methyl-3-pyridinyl)ethyl]-3-[(2-methyl-4-pyridinyl)oxy]-5-(5-methyl-1,3-thiazol-2-yl)benzamide

N-[(1R)-1-(6-methyl-3-pyridinyl)ethyl]-3-[(2-methyl-4-pyridinyl)oxy]-5-(5-methyl-1,3-thiazol-2-yl)benzamide (PubChem CID 121397329) has the molecular formula C25H24N4O2S and a molecular weight of 444.56 g/mol. Its IUPAC name is N-[(1R)-1-(6-methyl-3-pyridinyl)ethyl]-3-[(2-methyl-4-pyridinyl)oxy]-5-(5-methyl-1,3-thiazol-2-yl)benzamide.

Molecular Properties

Compound NameN-[(1R)-1-(6-methyl-3-pyridinyl)ethyl]-3-[(2-methyl-4-pyridinyl)oxy]-5-(5-methyl-1,3-thiazol-2-yl)benzamide
PubChem CID121397329
Molecular FormulaC25H24N4O2S
Molecular Weight444.56 g/mol
Exact Mass444.16
IUPAC NameN-[(1R)-1-(6-methyl-3-pyridinyl)ethyl]-3-[(2-methyl-4-pyridinyl)oxy]-5-(5-methyl-1,3-thiazol-2-yl)benzamide
SMILESCc1ccc([C@@H](C)NC(=O)c2cc(Oc3ccnc(C)c3)cc(-c3ncc(C)s3)c2)cn1
InChIInChI=1S/C25H24N4O2S/c1-15-5-6-19(14-27-15)18(4)29-24(30)20-10-21(25-28-13-17(3)32-25)12-23(11-20)31-22-7-8-26-16(2)9-22/h5-14,18H,1-4H3,(H,29,30)/t18-/m1/s1
InChIKeyPNIOXTPFLIQKJT-GOSISDBHSA-N
XLogP5.81
TPSA77.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.56
LogP ≤ 55.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-Methyl-N-[(2R)-1-oxo-1-[[(3R)-pyrrolidin-3-yl]amino]-3-[6-[3-(trifluoromethoxy)phenyl]pyridin-3-yl]propan-2-yl]-4-propylthiophene-2-carboxamide
CID 91885438
N-(4-phenoxyphenyl)-4-[2-(pyridin-4-yl)ethyl]-1,3-thiazole-5-carboxamide
CID 23644856
N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-4-{[1-(2-pyridinylmethyl)-4-piperidinyl]oxy}benzamide
CID 24794214
N-[1-(3-methoxyphenyl)ethyl]-5-pyridin-4-ylthiophene-2-carboxamide
CID 49830717
N-ethyl-7-(3-{[(2-fluoro-5-methylphenyl)amino]carbonyl}phenoxy)thieno[3,2-b]pyridine-2-carboxamide
CID 86290417
N,N-diethyl-7-[3-[(2-fluoro-5-methylphenyl)carbamoyl]phenoxy]thieno[3,2-b]pyridine-2-carboxamide
CID 86290418
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
US10174016, Example 60
CID 121397124
US10174016, Example 306
CID 121397132
US10174016, Example 180
CID 121397137
US10174016, Example 148
CID 121397138
US10174016, Example 233
CID 121397139

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(6-methyl-3-pyridinyl)ethyl]-3-[(2-methyl-4-pyridinyl)oxy]-5-(5-methyl-1,3-thiazol-2-yl)benzamide?
The IUPAC name of N-[(1R)-1-(6-methyl-3-pyridinyl)ethyl]-3-[(2-methyl-4-pyridinyl)oxy]-5-(5-methyl-1,3-thiazol-2-yl)benzamide (CID 121397329) is N-[(1R)-1-(6-methyl-3-pyridinyl)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-(6-methyl-3-pyridinyl)ethyl]-3-[(2-methyl-4-pyridinyl)oxy]-5-(5-methyl-1,3-thiazol-2-yl)benzamide?
The canonical SMILES for N-[(1R)-1-(6-methyl-3-pyridinyl)ethyl]-3-[(2-methyl-4-pyridinyl)oxy]-5-(5-methyl-1,3-thiazol-2-yl)benzamide is Cc1ccc([C@@H](C)NC(=O)c2cc(Oc3ccnc(C)c3)cc(-c3ncc(C)s3)c2)cn1.
What is the InChIKey of N-[(1R)-1-(6-methyl-3-pyridinyl)ethyl]-3-[(2-methyl-4-pyridinyl)oxy]-5-(5-methyl-1,3-thiazol-2-yl)benzamide?
The InChIKey is PNIOXTPFLIQKJT-GOSISDBHSA-N. The full InChI is InChI=1S/C25H24N4O2S/c1-15-5-6-19(14-27-15)18(4)29-24(30)20-10-21(25-28-13-17(3)32-25)12-23(11-20)31-22-7-8-26-16(2)9-22/h5-14,18H,1-4H3,(H,29,30)/t18-/m1/s1.
What are the key properties of N-[(1R)-1-(6-methyl-3-pyridinyl)ethyl]-3-[(2-methyl-4-pyridinyl)oxy]-5-(5-methyl-1,3-thiazol-2-yl)benzamide?
N-[(1R)-1-(6-methyl-3-pyridinyl)ethyl]-3-[(2-methyl-4-pyridinyl)oxy]-5-(5-methyl-1,3-thiazol-2-yl)benzamide has a molecular weight of 444.56 g/mol, XLogP of 5.81, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(6-methyl-3-pyridinyl)ethyl]-3-[(2-methyl-4-pyridinyl)oxy]-5-(5-methyl-1,3-thiazol-2-yl)benzamide is sourced from PubChem (CID 121397329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).